N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride

C18H30Cl2N4O3S — CID 119876347

IUPACN-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN1CCCN(S(=O)(=O)c2cccc(NC(=O)C3CCCNC3)c2)CC1.Cl.Cl
InChIInChI=1S/C18H28N4O3S.2ClH/c1-21-9-4-10-22(12-11-21)26(24,25)17-7-2-6-16(13-17)20-18(23)15-5-3-8-19-14-15;;/h2,6-7,13,15,19H,3-5,8-12,14H2,1H3,(H,20,23);2*1H
InChIKeyVLQUDRSLGGDMOU-UHFFFAOYSA-N
MW453.44 g/mol
LogP1.79
Rot. Bonds4

About N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride

N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119876347) has the molecular formula C18H30Cl2N4O3S and a molecular weight of 453.44 g/mol. Its IUPAC name is N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119876347
Molecular FormulaC18H30Cl2N4O3S
Molecular Weight453.44 g/mol
Exact Mass452.14
IUPAC NameN-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCN1CCCN(S(=O)(=O)c2cccc(NC(=O)C3CCCNC3)c2)CC1.Cl.Cl
InChIInChI=1S/C18H28N4O3S.2ClH/c1-21-9-4-10-22(12-11-21)26(24,25)17-7-2-6-16(13-17)20-18(23)15-5-3-8-19-14-15;;/h2,6-7,13,15,19H,3-5,8-12,14H2,1H3,(H,20,23);2*1H
InChIKeyVLQUDRSLGGDMOU-UHFFFAOYSA-N
XLogP1.79
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-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-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
3-amino-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]benzamide;dihydrochloride
CID 119876383
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
(2S)-2-amino-3,3-dimethyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]butanamide
CID 119876376

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride (CID 119876347) is N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride is CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C3CCCNC3)c2)CC1.Cl.Cl.
What is the InChIKey of N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is VLQUDRSLGGDMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S.2ClH/c1-21-9-4-10-22(12-11-21)26(24,25)17-7-2-6-16(13-17)20-18(23)15-5-3-8-19-14-15;;/h2,6-7,13,15,19H,3-5,8-12,14H2,1H3,(H,20,23);2*1H.
What are the key properties of N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride?
N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 453.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119876347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).