1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide

C20H31N3O3S — CID 119557104

IUPAC1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3CCCNC3)C2)cc1
InChIInChI=1S/C20H31N3O3S/c1-16-6-8-19(9-7-16)27(25,26)23-13-3-5-18(15-23)20(24)22-12-10-17-4-2-11-21-14-17/h6-9,17-18,21H,2-5,10-15H2,1H3,(H,22,24)
InChIKeySLPIEZMEPGXDDV-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.90
Rot. Bonds6

About 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 119557104) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
PubChem CID119557104
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3CCCNC3)C2)cc1
InChIInChI=1S/C20H31N3O3S/c1-16-6-8-19(9-7-16)27(25,26)23-13-3-5-18(15-23)20(24)22-12-10-17-4-2-11-21-14-17/h6-9,17-18,21H,2-5,10-15H2,1H3,(H,22,24)
InChIKeySLPIEZMEPGXDDV-UHFFFAOYSA-N
XLogP1.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535630
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
1-(4-methylphenyl)sulfonyl-N-(2-pyrrolidin-3-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119535384
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119431683
(3S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 124626205
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
1-(3,5-dimethylbenzoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide (CID 119557104) is 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3CCCNC3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is SLPIEZMEPGXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16-6-8-19(9-7-16)27(25,26)23-13-3-5-18(15-23)20(24)22-12-10-17-4-2-11-21-14-17/h6-9,17-18,21H,2-5,10-15H2,1H3,(H,22,24).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119557104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).