N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C20H31N3O3S — CID 20887286

IUPACN-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c1
InChIInChI=1S/C20H31N3O3S/c1-16-8-11-22(12-9-16)27(25,26)23-10-4-7-19(15-23)20(24)21-14-18-6-3-5-17(2)13-18/h3,5-6,13,16,19H,4,7-12,14-15H2,1-2H3,(H,21,24)
InChIKeyRVUHGZOQQPQNSX-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.30
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 20887286) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID20887286
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c1
InChIInChI=1S/C20H31N3O3S/c1-16-8-11-22(12-9-16)27(25,26)23-10-4-7-19(15-23)20(24)21-14-18-6-3-5-17(2)13-18/h3,5-6,13,16,19H,4,7-12,14-15H2,1-2H3,(H,21,24)
InChIKeyRVUHGZOQQPQNSX-UHFFFAOYSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 15998242
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 110335780
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
1-(2,5-dichlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133159708
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642351
N-(furan-2-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4095522
N-[(3-bromophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552799
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 20887286) is N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is RVUHGZOQQPQNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16-8-11-22(12-9-16)27(25,26)23-10-4-7-19(15-23)20(24)21-14-18-6-3-5-17(2)13-18/h3,5-6,13,16,19H,4,7-12,14-15H2,1-2H3,(H,21,24).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 20887286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).