N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide

C21H29N3O3S — CID 42940269

IUPACN-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H29N3O3S/c1-4-20(17-7-5-16(2)6-8-17)22-21(25)18-9-13-24(14-10-18)28(26,27)19-11-12-23(3)15-19/h5-8,11-12,15,18,20H,4,9-10,13-14H2,1-3H3,(H,22,25)
InChIKeyFEQOOVCERIEBAR-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide

N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 42940269) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
PubChem CID42940269
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H29N3O3S/c1-4-20(17-7-5-16(2)6-8-17)22-21(25)18-9-13-24(14-10-18)28(26,27)19-11-12-23(3)15-19/h5-8,11-12,15,18,20H,4,9-10,13-14H2,1-3H3,(H,22,25)
InChIKeyFEQOOVCERIEBAR-UHFFFAOYSA-N
XLogP3.00
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
N-[1-(2,4-dimethylphenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 133167103
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94012854
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24613397
N-[1-(4-methylphenyl)propyl]cyclopentanecarboxamide
CID 6469111
N-[(1R)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 25478191
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
N-[1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167146

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide (CID 42940269) is N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(S(=O)(=O)c2ccn(C)c2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FEQOOVCERIEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-4-20(17-7-5-16(2)6-8-17)22-21(25)18-9-13-24(14-10-18)28(26,27)19-11-12-23(3)15-19/h5-8,11-12,15,18,20H,4,9-10,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide?
N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 42940269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).