1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride

C24H40Cl2N4O3S — CID 45370708

IUPAC1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCN1CCN(C2(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C24H38N4O3S.2ClH/c1-26-16-18-27(19-17-26)24(12-6-3-7-13-24)20-25-23(29)21-10-14-28(15-11-21)32(30,31)22-8-4-2-5-9-22;;/h2,4-5,8-9,21H,3,6-7,10-20H2,1H3,(H,25,29);2*1H
InChIKeyDHTKKNYPBJBLNN-UHFFFAOYSA-N
MW535.58 g/mol
LogP3.00
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride

1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 45370708) has the molecular formula C24H40Cl2N4O3S and a molecular weight of 535.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID45370708
Molecular FormulaC24H40Cl2N4O3S
Molecular Weight535.58 g/mol
Exact Mass534.22
IUPAC Name1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCN1CCN(C2(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C24H38N4O3S.2ClH/c1-26-16-18-27(19-17-26)24(12-6-3-7-13-24)20-25-23(29)21-10-14-28(15-11-21)32(30,31)22-8-4-2-5-9-22;;/h2,4-5,8-9,21H,3,6-7,10-20H2,1H3,(H,25,29);2*1H
InChIKeyDHTKKNYPBJBLNN-UHFFFAOYSA-N
XLogP3.00
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
2-amino-N-[[1-[4-(benzenesulfonyl)piperazin-1-yl]cyclohexyl]methyl]-6-chlorobenzamide
CID 89482720
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26560022
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 7130571
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 17430236
1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650068
1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 19282977

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride (CID 45370708) is 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride is CN1CCN(C2(CNC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is DHTKKNYPBJBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3S.2ClH/c1-26-16-18-27(19-17-26)24(12-6-3-7-13-24)20-25-23(29)21-10-14-28(15-11-21)32(30,31)22-8-4-2-5-9-22;;/h2,4-5,8-9,21H,3,6-7,10-20H2,1H3,(H,25,29);2*1H.
What are the key properties of 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride?
1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 535.58 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 45370708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).