benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate

C19H29N3O4 — CID 178100467

IUPACbenzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)20-22-12-10-16(11-13-22)21(4)18(24)25-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,20,23)
InChIKeyBZIRDMOPFBVYKA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.16
Rot. Bonds4

About benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate

benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate (PubChem CID 178100467) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
PubChem CID178100467
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namebenzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)20-22-12-10-16(11-13-22)21(4)18(24)25-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,20,23)
InChIKeyBZIRDMOPFBVYKA-UHFFFAOYSA-N
XLogP3.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
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 N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-methyl-N-piperidin-4-ylcarbamate;2,2,2-trifluoroacetic acid
CID 118077491
benzyl N-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-methylcarbamate
CID 66805489

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate (CID 178100467) is benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate is CN(C(=O)OCc1ccccc1)C1CCN(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate?
The InChIKey is BZIRDMOPFBVYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)20-22-12-10-16(11-13-22)21(4)18(24)25-14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,20,23).
What are the key properties of benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate?
benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamate is sourced from PubChem (CID 178100467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).