1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride

C19H30ClN3O3S — CID 120554823

IUPAC1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCNCC3C)C2)cc1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-14-5-7-17(8-6-14)26(24,25)22-11-3-4-16(13-22)19(23)21-18-9-10-20-12-15(18)2;/h5-8,15-16,18,20H,3-4,9-13H2,1-2H3,(H,21,23);1H
InChIKeyRIEBFPSCPZGKPG-UHFFFAOYSA-N
MW415.99 g/mol
LogP1.93
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride

1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120554823) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID120554823
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCNCC3C)C2)cc1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-14-5-7-17(8-6-14)26(24,25)22-11-3-4-16(13-22)19(23)21-18-9-10-20-12-15(18)2;/h5-8,15-16,18,20H,3-4,9-13H2,1-2H3,(H,21,23);1H
InChIKeyRIEBFPSCPZGKPG-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120556458
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 120556459
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535630
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765426
(3R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 124765425
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
N-[2-(aminomethyl)cyclopentyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119602759
1-(4-methylphenyl)sulfonyl-N-piperidin-3-ylpiperidine-4-carboxamide
CID 119426293
1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557104
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-(4-nitrophenyl)sulfonyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119424562

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride (CID 120554823) is 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCNCC3C)C2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is RIEBFPSCPZGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-14-5-7-17(8-6-14)26(24,25)22-11-3-4-16(13-22)19(23)21-18-9-10-20-12-15(18)2;/h5-8,15-16,18,20H,3-4,9-13H2,1-2H3,(H,21,23);1H.
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120554823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).