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

C72H115N9O13 — CID 158231412

IUPACbenzyl 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
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(Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O4.C18H28N2O2.C14H20N2O2.C11H22N2O2.C10H17NO3/c1-19(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;1-18(2,3)22-17(21)20-12-10-16(11-13-20)19(4)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;1-11(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/h5-9,16H,10-14H2,1-4H3;5-9,16H,10-14H2,1-4H3;2-6,13,15H,7-11H2,1H3;9,12H,5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyGEKSRIJBLWEGOH-UHFFFAOYSA-N
MW1314.76 g/mol
LogP12.37
Rot. Bonds10

About 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

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 (PubChem CID 158231412) has the molecular formula C72H115N9O13 and a molecular weight of 1314.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID158231412
Molecular FormulaC72H115N9O13
Molecular Weight1314.76 g/mol
Exact Mass1313.86
IUPAC Namebenzyl 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
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(Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O4.C18H28N2O2.C14H20N2O2.C11H22N2O2.C10H17NO3/c1-19(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;1-18(2,3)22-17(21)20-12-10-16(11-13-20)19(4)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;1-11(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/h5-9,16H,10-14H2,1-4H3;5-9,16H,10-14H2,1-4H3;2-6,13,15H,7-11H2,1H3;9,12H,5-8H2,1-4H3;4-7H2,1-3H3
InChIKeyGEKSRIJBLWEGOH-UHFFFAOYSA-N
XLogP12.37
TPSA221.61 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001314.76
LogP ≤ 512.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
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
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 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 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
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(Cc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.CNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is GEKSRIJBLWEGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4.C18H28N2O2.C14H20N2O2.C11H22N2O2.C10H17NO3/c1-19(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;1-18(2,3)22-17(21)20-12-10-16(11-13-20)19(4)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;1-11(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/h5-9,16H,10-14H2,1-4H3;5-9,16H,10-14H2,1-4H3;2-6,13,15H,7-11H2,1H3;9,12H,5-8H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1314.76 g/mol, XLogP of 12.37, 10 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158231412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).