1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride

C31H48Cl2N4O4S — CID 68933615

IUPAC1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](NC(=O)C2(C3(C(=O)N[C@@H]4CCCNC4)CCCCC3)CCCCC2)C1.Cl
InChIInChI=1S/C31H47ClN4O4S.ClH/c1-23-26(32)13-8-14-27(23)41(39,40)36-20-10-12-25(22-36)35-29(38)31(17-6-3-7-18-31)30(15-4-2-5-16-30)28(37)34-24-11-9-19-33-21-24;/h8,13-14,24-25,33H,2-7,9-12,15-22H2,1H3,(H,34,37)(H,35,38);1H/t24-,25-;/m1./s1
InChIKeyOSVFVOOZHZDSGO-JIMLSGQQSA-N
MW643.72 g/mol
LogP5.11
Rot. Bonds7

About 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride

1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 68933615) has the molecular formula C31H48Cl2N4O4S and a molecular weight of 643.72 g/mol. Its IUPAC name is 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID68933615
Molecular FormulaC31H48Cl2N4O4S
Molecular Weight643.72 g/mol
Exact Mass642.28
IUPAC Name1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](NC(=O)C2(C3(C(=O)N[C@@H]4CCCNC4)CCCCC3)CCCCC2)C1.Cl
InChIInChI=1S/C31H47ClN4O4S.ClH/c1-23-26(32)13-8-14-27(23)41(39,40)36-20-10-12-25(22-36)35-29(38)31(17-6-3-7-18-31)30(15-4-2-5-16-30)28(37)34-24-11-9-19-33-21-24;/h8,13-14,24-25,33H,2-7,9-12,15-22H2,1H3,(H,34,37)(H,35,38);1H/t24-,25-;/m1./s1
InChIKeyOSVFVOOZHZDSGO-JIMLSGQQSA-N
XLogP5.11
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.72
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 11618123
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
CID 11639788
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide
CID 11611555
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873987
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 11619039
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride (CID 68933615) is 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](NC(=O)C2(C3(C(=O)N[C@@H]4CCCNC4)CCCCC3)CCCCC2)C1.Cl.
What is the InChIKey of 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OSVFVOOZHZDSGO-JIMLSGQQSA-N. The full InChI is InChI=1S/C31H47ClN4O4S.ClH/c1-23-26(32)13-8-14-27(23)41(39,40)36-20-10-12-25(22-36)35-29(38)31(17-6-3-7-18-31)30(15-4-2-5-16-30)28(37)34-24-11-9-19-33-21-24;/h8,13-14,24-25,33H,2-7,9-12,15-22H2,1H3,(H,34,37)(H,35,38);1H/t24-,25-;/m1./s1.
What are the key properties of 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride?
1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 643.72 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 68933615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).