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

C25H31N3O4S — CID 51071212

IUPACN-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H31N3O4S/c29-24(19-9-3-1-4-10-19)26-22-13-7-8-14-23(22)27-25(30)20-15-17-28(18-16-20)33(31,32)21-11-5-2-6-12-21/h1-6,9-12,20,22-23H,7-8,13-18H2,(H,26,29)(H,27,30)/t22-,23-/m1/s1
InChIKeyNLTRNPAAJOSEAW-DHIUTWEWSA-N
MW469.61 g/mol
LogP2.94
Rot. Bonds6

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

N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide (PubChem CID 51071212) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
PubChem CID51071212
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H31N3O4S/c29-24(19-9-3-1-4-10-19)26-22-13-7-8-14-23(22)27-25(30)20-15-17-28(18-16-20)33(31,32)21-11-5-2-6-12-21/h1-6,9-12,20,22-23H,7-8,13-18H2,(H,26,29)(H,27,30)/t22-,23-/m1/s1
InChIKeyNLTRNPAAJOSEAW-DHIUTWEWSA-N
XLogP2.94
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
CID 51071217
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 51071677
(3S)-1-(4-acetamidophenyl)sulfonyl-N-[(1R,2R)-2-benzamidocyclohexyl]piperidine-3-carboxamide
CID 93013562
N-[(2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-4-carboxamide
CID 46104149
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
CID 51071021
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
1-(3-acetylphenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9404010
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide (CID 51071212) is N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
The InChIKey is NLTRNPAAJOSEAW-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H31N3O4S/c29-24(19-9-3-1-4-10-19)26-22-13-7-8-14-23(22)27-25(30)20-15-17-28(18-16-20)33(31,32)21-11-5-2-6-12-21/h1-6,9-12,20,22-23H,7-8,13-18H2,(H,26,29)(H,27,30)/t22-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide?
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51071212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).