(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide

C17H24ClN3O2 — CID 26323757

IUPAC(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)20-17(23)21-9-5-6-13(11-21)10-19-16(22)14-7-3-4-8-15(14)18/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyHMEZQZJOPDKRJC-ZDUSSCGKSA-N
MW337.85 g/mol
LogP2.90
Rot. Bonds4

About (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide

(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 26323757) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID26323757
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)20-17(23)21-9-5-6-13(11-21)10-19-16(22)14-7-3-4-8-15(14)18/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyHMEZQZJOPDKRJC-ZDUSSCGKSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42594765
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 42558040
3-[[(2-chlorobenzoyl)amino]methyl]-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 24790774
2-chloro-N-[[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26405742
(2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241686
2-chloro-N-[[1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 45249030
2-chloro-N-[[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 26402341
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 26323757) is (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is HMEZQZJOPDKRJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(2)20-17(23)21-9-5-6-13(11-21)10-19-16(22)14-7-3-4-8-15(14)18/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide?
(3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(2-chlorobenzoyl)amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 26323757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).