1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide

C20H38N4O4S — CID 56526123

IUPAC1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(CCS(=O)(=O)CCN2CCCC(C(=O)N(C)C)C2)C1
InChIInChI=1S/C20H38N4O4S/c1-21(2)19(25)17-7-5-9-23(15-17)11-13-29(27,28)14-12-24-10-6-8-18(16-24)20(26)22(3)4/h17-18H,5-16H2,1-4H3
InChIKeyLQZUTDKRQPELIR-UHFFFAOYSA-N
MW430.62 g/mol
LogP0.00
Rot. Bonds8

About 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide

1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 56526123) has the molecular formula C20H38N4O4S and a molecular weight of 430.62 g/mol. Its IUPAC name is 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID56526123
Molecular FormulaC20H38N4O4S
Molecular Weight430.62 g/mol
Exact Mass430.26
IUPAC Name1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(CCS(=O)(=O)CCN2CCCC(C(=O)N(C)C)C2)C1
InChIInChI=1S/C20H38N4O4S/c1-21(2)19(25)17-7-5-9-23(15-17)11-13-29(27,28)14-12-24-10-6-8-18(16-24)20(26)22(3)4/h17-18H,5-16H2,1-4H3
InChIKeyLQZUTDKRQPELIR-UHFFFAOYSA-N
XLogP0.00
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide 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

1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
N,N-dimethyl-1-(oxiran-2-ylmethyl)piperidine-3-carboxamide
CID 102548593
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
CID 111487608
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
1-(2-propan-2-ylsulfonylethyl)piperidine-3-carboxylic acid
CID 104835427
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
CID 90679730
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide
CID 89024012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide (CID 56526123) is 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(CCS(=O)(=O)CCN2CCCC(C(=O)N(C)C)C2)C1.
What is the InChIKey of 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is LQZUTDKRQPELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O4S/c1-21(2)19(25)17-7-5-9-23(15-17)11-13-29(27,28)14-12-24-10-6-8-18(16-24)20(26)22(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 430.62 g/mol, XLogP of 0.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 56526123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).