N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride

C16H25ClN4O4S — CID 119971164

IUPACN-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-18-15(21)12-4-6-14(7-5-12)25(23,24)20-10-2-3-13(11-20)16(22)19-9-8-17;/h4-7,13H,2-3,8-11,17H2,1H3,(H,18,21)(H,19,22);1H
InChIKeyXMMHWHCUXWDLNE-UHFFFAOYSA-N
MW404.92 g/mol
LogP-0.06
Rot. Bonds6

About N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119971164) has the molecular formula C16H25ClN4O4S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119971164
Molecular FormulaC16H25ClN4O4S
Molecular Weight404.92 g/mol
Exact Mass404.13
IUPAC NameN-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCNC(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl
InChIInChI=1S/C16H24N4O4S.ClH/c1-18-15(21)12-4-6-14(7-5-12)25(23,24)20-10-2-3-13(11-20)16(22)19-9-8-17;/h4-7,13H,2-3,8-11,17H2,1H3,(H,18,21)(H,19,22);1H
InChIKeyXMMHWHCUXWDLNE-UHFFFAOYSA-N
XLogP-0.06
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
N-(2-aminoethyl)-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971336
N-(2-aminoethyl)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971084
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
ethyl (3R)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 27299704
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
CID 119971209
N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971495
3-[[(3S)-1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate
CID 8022586
3-[[(3S)-1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 8022587
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride (CID 119971164) is N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride is CNC(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is XMMHWHCUXWDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S.ClH/c1-18-15(21)12-4-6-14(7-5-12)25(23,24)20-10-2-3-13(11-20)16(22)19-9-8-17;/h4-7,13H,2-3,8-11,17H2,1H3,(H,18,21)(H,19,22);1H.
What are the key properties of N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 404.92 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119971164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).