1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide

C20H31N3O3S — CID 110357434

IUPAC1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(c2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-27(25,26)23-14-10-18(11-15-23)20(24)21-16-19(17-8-4-2-5-9-17)22-12-6-3-7-13-22/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,21,24)
InChIKeyGJINZPZVZXKXPD-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.00
Rot. Bonds6

About 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 110357434) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID110357434
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(c2ccccc2)N2CCCCC2)CC1
InChIInChI=1S/C20H31N3O3S/c1-27(25,26)23-14-10-18(11-15-23)20(24)21-16-19(17-8-4-2-5-9-17)22-12-6-3-7-13-22/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,21,24)
InChIKeyGJINZPZVZXKXPD-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112506462
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclohexanecarboxamide
CID 43956108
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(methanesulfonamido)propanamide
CID 118765593
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 34967946
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]cyclopentanecarboxamide
CID 7496289

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide (CID 110357434) is 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC(c2ccccc2)N2CCCCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is GJINZPZVZXKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-27(25,26)23-14-10-18(11-15-23)20(24)21-16-19(17-8-4-2-5-9-17)22-12-6-3-7-13-22/h2,4-5,8-9,18-19H,3,6-7,10-16H2,1H3,(H,21,24).
What are the key properties of 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110357434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).