1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide

C22H34N2O4S — CID 95875536

IUPAC1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C22H34N2O4S/c1-2-14-24(20-10-6-7-11-21(20)25)22(26)19-12-15-23(16-13-19)29(27,28)17-18-8-4-3-5-9-18/h3-5,8-9,19-21,25H,2,6-7,10-17H2,1H3/t20-,21-/m1/s1
InChIKeyRLOLMTKKOFWBKT-NHCUHLMSSA-N
MW422.59 g/mol
LogP2.77
Rot. Bonds7

About 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide

1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide (PubChem CID 95875536) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide
PubChem CID95875536
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC Name1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide
SMILESCCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C22H34N2O4S/c1-2-14-24(20-10-6-7-11-21(20)25)22(26)19-12-15-23(16-13-19)29(27,28)17-18-8-4-3-5-9-18/h3-5,8-9,19-21,25H,2,6-7,10-17H2,1H3/t20-,21-/m1/s1
InChIKeyRLOLMTKKOFWBKT-NHCUHLMSSA-N
XLogP2.77
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
CID 55689168
2-[(1-benzylsulfonylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 119205672
N-(2-hydroxycyclohexyl)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 70703100
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
1-benzylsulfonyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 55690489
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
2-[4-(1-benzylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55686496

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide (CID 95875536) is 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide is CCCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is RLOLMTKKOFWBKT-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-2-14-24(20-10-6-7-11-21(20)25)22(26)19-12-15-23(16-13-19)29(27,28)17-18-8-4-3-5-9-18/h3-5,8-9,19-21,25H,2,6-7,10-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide?
1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 422.59 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 95875536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).