N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C28H35N3O3 — CID 51071042

IUPACN-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H35N3O3/c32-26(16-15-21-9-3-1-4-10-21)31-19-17-23(18-20-31)28(34)30-25-14-8-7-13-24(25)29-27(33)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2,(H,29,33)(H,30,34)/t24-,25-/m1/s1
InChIKeyHMETZGUXZRYWDF-JWQCQUIFSA-N
MW461.61 g/mol
LogP3.72
Rot. Bonds7

About N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 51071042) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID51071042
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H35N3O3/c32-26(16-15-21-9-3-1-4-10-21)31-19-17-23(18-20-31)28(34)30-25-14-8-7-13-24(25)29-27(33)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2,(H,29,33)(H,30,34)/t24-,25-/m1/s1
InChIKeyHMETZGUXZRYWDF-JWQCQUIFSA-N
XLogP3.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
CID 51071021
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 98681861
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
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-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
(3S)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 93013795
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 51071046
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 51071042) is N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is HMETZGUXZRYWDF-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H35N3O3/c32-26(16-15-21-9-3-1-4-10-21)31-19-17-23(18-20-31)28(34)30-25-14-8-7-13-24(25)29-27(33)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2,(H,29,33)(H,30,34)/t24-,25-/m1/s1.
What are the key properties of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 3.72, 7 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-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 51071042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).