1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride

C17H29ClN4O3S — CID 120575353

IUPAC1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-13-15(7-6-8-18-13)19-17(22)16-11-14(12-20(16)2)25(23,24)21-9-4-3-5-10-21;/h11-13,15,18H,3-10H2,1-2H3,(H,19,22);1H
InChIKeySTXHCMBTGPARBV-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.49
Rot. Bonds4

About 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride

1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride (PubChem CID 120575353) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
PubChem CID120575353
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC Name1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-13-15(7-6-8-18-13)19-17(22)16-11-14(12-20(16)2)25(23,24)21-9-4-3-5-10-21;/h11-13,15,18H,3-10H2,1-2H3,(H,19,22);1H
InChIKeySTXHCMBTGPARBV-UHFFFAOYSA-N
XLogP1.49
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 51548567
1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510648
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230351
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 26744296
N-cyclohexyl-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087255
N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55560394
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
N-tert-butyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 20969680
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577985
3-methyl-2-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]butanoic acid
CID 119170435
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride (CID 120575353) is 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C.Cl.
What is the InChIKey of 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is STXHCMBTGPARBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-13-15(7-6-8-18-13)19-17(22)16-11-14(12-20(16)2)25(23,24)21-9-4-3-5-10-21;/h11-13,15,18H,3-10H2,1-2H3,(H,19,22);1H.
What are the key properties of 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride?
1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpiperidin-3-yl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120575353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).