(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

C19H32Cl2N4O3S — CID 120639924

IUPAC(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCN[C@@H](C)C3)c2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-3-22-9-11-23(12-10-22)27(25,26)18-6-4-5-17(14-18)21-19(24)16-7-8-20-15(2)13-16;;/h4-6,14-16,20H,3,7-13H2,1-2H3,(H,21,24);2*1H/t15-,16-;;/m0../s1
InChIKeyZYXUOSMNADECKV-SXBSVMRRSA-N
MW467.46 g/mol
LogP2.18
Rot. Bonds5

About (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120639924) has the molecular formula C19H32Cl2N4O3S and a molecular weight of 467.46 g/mol. Its IUPAC name is (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120639924
Molecular FormulaC19H32Cl2N4O3S
Molecular Weight467.46 g/mol
Exact Mass466.16
IUPAC Name(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCN[C@@H](C)C3)c2)CC1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-3-22-9-11-23(12-10-22)27(25,26)18-6-4-5-17(14-18)21-19(24)16-7-8-20-15(2)13-16;;/h4-6,14-16,20H,3,7-13H2,1-2H3,(H,21,24);2*1H/t15-,16-;;/m0../s1
InChIKeyZYXUOSMNADECKV-SXBSVMRRSA-N
XLogP2.18
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride 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-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
(2S,4S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpiperidine-4-carboxamide
CID 120618053
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
(2S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55943395
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119876347

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (CID 120639924) is (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCN[C@@H](C)C3)c2)CC1.Cl.Cl.
What is the InChIKey of (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is ZYXUOSMNADECKV-SXBSVMRRSA-N. The full InChI is InChI=1S/C19H30N4O3S.2ClH/c1-3-22-9-11-23(12-10-22)27(25,26)18-6-4-5-17(14-18)21-19(24)16-7-8-20-15(2)13-16;;/h4-6,14-16,20H,3,7-13H2,1-2H3,(H,21,24);2*1H/t15-,16-;;/m0../s1.
What are the key properties of (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 467.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120639924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).