N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide

C22H31N3O3 — CID 51071021

IUPACN-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-20(26)25-14-12-17(13-15-25)22(28)24-19-11-7-6-10-18(19)23-21(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,23,27)(H,24,28)/t18-,19-/m1/s1
InChIKeyKOIIROOHNPABEE-RTBURBONSA-N
MW385.51 g/mol
LogP2.49
Rot. Bonds5

About N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide

N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide (PubChem CID 51071021) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
PubChem CID51071021
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-20(26)25-14-12-17(13-15-25)22(28)24-19-11-7-6-10-18(19)23-21(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,23,27)(H,24,28)/t18-,19-/m1/s1
InChIKeyKOIIROOHNPABEE-RTBURBONSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 51071042
N-[(1R,2R)-2-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 51071046
N-[(2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-4-carboxamide
CID 46104149
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 51070988
(3R)-N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-chloropropanoyl)piperidine-3-carboxamide
CID 93013544
N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-nonanoylpiperidine-4-carboxamide
CID 51071092
N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
CID 51071217
3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
CID 110819130
N-[(1R,2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-3-carboxamide
CID 51070997

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide (CID 51071021) is N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide?
The InChIKey is KOIIROOHNPABEE-RTBURBONSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-20(26)25-14-12-17(13-15-25)22(28)24-19-11-7-6-10-18(19)23-21(27)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3,(H,23,27)(H,24,28)/t18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide?
N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 51071021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).