2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride

C15H25ClN4O3S — CID 119918352

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1.Cl
InChIInChI=1S/C15H24N4O3S.ClH/c1-11(19-9-3-4-13(10-19)17-2)15(20)18-12-5-7-14(8-6-12)23(16,21)22;/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,20)(H2,16,21,22);1H
InChIKeyBNJBSEBAYCSZGB-UHFFFAOYSA-N
MW376.91 g/mol
LogP0.77
Rot. Bonds5

About 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride (PubChem CID 119918352) has the molecular formula C15H25ClN4O3S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
PubChem CID119918352
Molecular FormulaC15H25ClN4O3S
Molecular Weight376.91 g/mol
Exact Mass376.13
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
SMILESCNC1CCCN(C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1.Cl
InChIInChI=1S/C15H24N4O3S.ClH/c1-11(19-9-3-4-13(10-19)17-2)15(20)18-12-5-7-14(8-6-12)23(16,21)22;/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,20)(H2,16,21,22);1H
InChIKeyBNJBSEBAYCSZGB-UHFFFAOYSA-N
XLogP0.77
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51672985
N-ethyl-1-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]piperidine-3-carboxamide
CID 48938077
(2R)-2-[(3S)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 98794961
(2S)-2-[4-(methanesulfonamido)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 41331851
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918800
2-[3-(methylamino)piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 119918874
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride (CID 119918352) is 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride is CNC1CCCN(C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride?
The InChIKey is BNJBSEBAYCSZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S.ClH/c1-11(19-9-3-4-13(10-19)17-2)15(20)18-12-5-7-14(8-6-12)23(16,21)22;/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,18,20)(H2,16,21,22);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119918352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).