N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide

C19H24N2O4 — CID 92571774

IUPACN-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](C2CCCCC2)N1
InChIInChI=1S/C19H24N2O4/c22-17-9-7-14(18(21-17)12-4-2-1-3-5-12)20-19(23)13-6-8-15-16(10-13)25-11-24-15/h6,8,10,12,14,18H,1-5,7,9,11H2,(H,20,23)(H,21,22)/t14-,18+/m0/s1
InChIKeyOCMGQLPUMWHYSZ-KBXCAEBGSA-N
MW344.41 g/mol
LogP2.37
Rot. Bonds3

About N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 92571774) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID92571774
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](C2CCCCC2)N1
InChIInChI=1S/C19H24N2O4/c22-17-9-7-14(18(21-17)12-4-2-1-3-5-12)20-19(23)13-6-8-15-16(10-13)25-11-24-15/h6,8,10,12,14,18H,1-5,7,9,11H2,(H,20,23)(H,21,22)/t14-,18+/m0/s1
InChIKeyOCMGQLPUMWHYSZ-KBXCAEBGSA-N
XLogP2.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,2R)-2-(1,3-benzodioxole-5-carbonylamino)cycloheptyl]carbamate
CID 71886715
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 45087059
N-[(E)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 9233201
N-[(E)-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 9233208
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 18403991
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 71643856
N-(cyclohexylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 5128114
2-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]cyclooctane-1-carboxylic acid
CID 120532904
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 154567269

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 92571774) is N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide is O=C1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H](C2CCCCC2)N1.
What is the InChIKey of N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OCMGQLPUMWHYSZ-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17-9-7-14(18(21-17)12-4-2-1-3-5-12)20-19(23)13-6-8-15-16(10-13)25-11-24-15/h6,8,10,12,14,18H,1-5,7,9,11H2,(H,20,23)(H,21,22)/t14-,18+/m0/s1.
What are the key properties of N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-cyclohexyl-6-oxopiperidin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 92571774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).