benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine

C88H137N15O13 — CID 158301268

IUPACbenzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)OCc1ccccc1)C1CCNCC1.CN(C)c1cc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)ccn1.CNC1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(c2ccnc(N(C)C)c2)CC1
InChIInChI=1S/C21H28N4O2.C19H28N2O4.C14H20N2O2.C13H22N4.C11H22N2O2.C10H17NO3/c1-23(2)20-15-19(9-12-22-20)25-13-10-18(11-14-25)24(3)21(26)27-16-17-7-5-4-6-8-17;1-19(2,3)25-18(23)21-12-10-16(11-13-21)20(4)17(22)24-14-15-8-6-5-7-9-15;1-16(13-7-9-15-10-8-13)14(17)18-11-12-5-3-2-4-6-12;1-14-11-5-8-17(9-6-11)12-4-7-15-13(10-12)16(2)3;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-9,12,15,18H,10-11,13-14,16H2,1-3H3;5-9,16H,10-14H2,1-4H3;2-6,13,15H,7-11H2,1H3;4,7,10-11,14H,5-6,8-9H2,1-3H3;9,12H,5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyGMNGWFOWZNIZQJ-UHFFFAOYSA-N
MW1613.16 g/mol
LogP13.57
Rot. Bonds15

About benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine

benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine (PubChem CID 158301268) has the molecular formula C88H137N15O13 and a molecular weight of 1613.16 g/mol. Its IUPAC name is benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Namebenzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine
PubChem CID158301268
Molecular FormulaC88H137N15O13
Molecular Weight1613.16 g/mol
Exact Mass1612.05
IUPAC Namebenzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)OCc1ccccc1)C1CCNCC1.CN(C)c1cc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)ccn1.CNC1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(c2ccnc(N(C)C)c2)CC1
InChIInChI=1S/C21H28N4O2.C19H28N2O4.C14H20N2O2.C13H22N4.C11H22N2O2.C10H17NO3/c1-23(2)20-15-19(9-12-22-20)25-13-10-18(11-14-25)24(3)21(26)27-16-17-7-5-4-6-8-17;1-19(2,3)25-18(23)21-12-10-16(11-13-21)20(4)17(22)24-14-15-8-6-5-7-9-15;1-16(13-7-9-15-10-8-13)14(17)18-11-12-5-3-2-4-6-12;1-14-11-5-8-17(9-6-11)12-4-7-15-13(10-12)16(2)3;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-9,12,15,18H,10-11,13-14,16H2,1-3H3;5-9,16H,10-14H2,1-4H3;2-6,13,15H,7-11H2,1H3;4,7,10-11,14H,5-6,8-9H2,1-3H3;9,12H,5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyGMNGWFOWZNIZQJ-UHFFFAOYSA-N
XLogP13.57
TPSA269.14 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.16
LogP ≤ 513.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine with MolForge

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Related Compounds

benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-[benzyl(methyl)amino]piperidine-1-carboxylate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 158231412
benzyl N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-4-amine
CID 159062460
benzyl N-[1-(methylcarbamothioyl)piperidin-4-yl]carbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl N-methyl-N-[1-(1-methylimidazol-2-yl)piperidin-4-yl]carbamate;bis(N-methyl-1-(1-methylimidazol-2-yl)piperidin-4-amine)
CID 158687932
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate
CID 66805489
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
CID 178100467
benzyl N-(2-piperidin-4-ylpropan-2-yl)carbamate;tert-butyl 4-[2-(phenylmethoxycarbonylamino)propan-2-yl]piperidine-1-carboxylate
CID 157460194
benzyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 177301155
tert-butyl 6-[methyl(phenylmethoxycarbonyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 163274863
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine?
The IUPAC name of benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine (CID 158301268) is benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine?
The canonical SMILES for benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine is CC(C)(C)OC(=O)N1CCC(=O)CC1.CN(C(=O)OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)OCc1ccccc1)C1CCNCC1.CN(C)c1cc(N2CCC(N(C)C(=O)OCc3ccccc3)CC2)ccn1.CNC1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(c2ccnc(N(C)C)c2)CC1.
What is the InChIKey of benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine?
The InChIKey is GMNGWFOWZNIZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.C19H28N2O4.C14H20N2O2.C13H22N4.C11H22N2O2.C10H17NO3/c1-23(2)20-15-19(9-12-22-20)25-13-10-18(11-14-25)24(3)21(26)27-16-17-7-5-4-6-8-17;1-19(2,3)25-18(23)21-12-10-16(11-13-21)20(4)17(22)24-14-15-8-6-5-7-9-15;1-16(13-7-9-15-10-8-13)14(17)18-11-12-5-3-2-4-6-12;1-14-11-5-8-17(9-6-11)12-4-7-15-13(10-12)16(2)3;1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-9,12,15,18H,10-11,13-14,16H2,1-3H3;5-9,16H,10-14H2,1-4H3;2-6,13,15H,7-11H2,1H3;4,7,10-11,14H,5-6,8-9H2,1-3H3;9,12H,5-8H2,1-4H3;4-7H2,1-3H3.
What are the key properties of benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine?
benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine has a molecular weight of 1613.16 g/mol, XLogP of 13.57, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(dimethylamino)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate;benzyl N-methyl-N-piperidin-4-ylcarbamate;tert-butyl 4-(methylamino)piperidine-1-carboxylate;tert-butyl 4-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 158301268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).