N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide

C21H28ClN3O3 — CID 46170994

IUPACN-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESCC(=O)N[C@@H]1CCCCC1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H28ClN3O3/c1-14(26)23-18-6-2-3-7-19(18)24-20(27)16-5-4-12-25(13-16)21(28)15-8-10-17(22)11-9-15/h8-11,16,18-19H,2-7,12-13H2,1H3,(H,23,26)(H,24,27)/t16?,18-,19?/m1/s1
InChIKeyWOVZCYFOYIRJDD-CUYAVPTFSA-N
MW405.93 g/mol
LogP2.76
Rot. Bonds4

About N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide

N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 46170994) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID46170994
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESCC(=O)N[C@@H]1CCCCC1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H28ClN3O3/c1-14(26)23-18-6-2-3-7-19(18)24-20(27)16-5-4-12-25(13-16)21(28)15-8-10-17(22)11-9-15/h8-11,16,18-19H,2-7,12-13H2,1H3,(H,23,26)(H,24,27)/t16?,18-,19?/m1/s1
InChIKeyWOVZCYFOYIRJDD-CUYAVPTFSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-(3-hydroxycyclobutyl)piperidine-3-carboxamide
CID 154802579
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
CID 136581604
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51071660
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 46170994) is N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide is CC(=O)N[C@@H]1CCCCC1NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is WOVZCYFOYIRJDD-CUYAVPTFSA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-14(26)23-18-6-2-3-7-19(18)24-20(27)16-5-4-12-25(13-16)21(28)15-8-10-17(22)11-9-15/h8-11,16,18-19H,2-7,12-13H2,1H3,(H,23,26)(H,24,27)/t16?,18-,19?/m1/s1.
What are the key properties of N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46170994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).