N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide

C24H27N3O4 — CID 8995848

IUPACN-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4/c28-23(26-19-8-9-20-21(14-19)31-15-30-20)17-10-12-27(13-11-17)22(16-4-2-1-3-5-16)24(29)25-18-6-7-18/h1-5,8-9,14,17-18,22H,6-7,10-13,15H2,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKeySBVUHFJBNBTHIX-QFIPXVFZSA-N
MW421.50 g/mol
LogP3.09
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 8995848) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
PubChem CID8995848
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C24H27N3O4/c28-23(26-19-8-9-20-21(14-19)31-15-30-20)17-10-12-27(13-11-17)22(16-4-2-1-3-5-16)24(29)25-18-6-7-18/h1-5,8-9,14,17-18,22H,6-7,10-13,15H2,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKeySBVUHFJBNBTHIX-QFIPXVFZSA-N
XLogP3.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 40855341
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8995765
1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 17482899
1-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907684
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 93156016
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide (CID 8995848) is N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is SBVUHFJBNBTHIX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-23(26-19-8-9-20-21(14-19)31-15-30-20)17-10-12-27(13-11-17)22(16-4-2-1-3-5-16)24(29)25-18-6-7-18/h1-5,8-9,14,17-18,22H,6-7,10-13,15H2,(H,25,29)(H,26,28)/t22-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8995848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).