N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

C24H33N3O3S — CID 25472551

IUPACN-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C2CC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-18(2)20-6-4-19(5-7-20)16-27(22-8-9-22)24(28)21-10-14-26(15-11-21)31(29,30)23-12-13-25(3)17-23/h4-7,12-13,17-18,21-22H,8-11,14-16H2,1-3H3
InChIKeyHILZEQRCCGRBLY-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.74
Rot. Bonds7

About N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 25472551) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID25472551
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C2CC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-18(2)20-6-4-19(5-7-20)16-27(22-8-9-22)24(28)21-10-14-26(15-11-21)31(29,30)23-12-13-25(3)17-23/h4-7,12-13,17-18,21-22H,8-11,14-16H2,1-3H3
InChIKeyHILZEQRCCGRBLY-UHFFFAOYSA-N
XLogP3.74
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 24603644
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
CID 55633668
N-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 32589694
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280
N-[1-(4-methylphenyl)propyl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 42940269
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
methyl 3-[benzyl-[1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate
CID 55512905
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 25472551) is N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)c1ccc(CN(C(=O)C2CCN(S(=O)(=O)c3ccn(C)c3)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HILZEQRCCGRBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18(2)20-6-4-19(5-7-20)16-27(22-8-9-22)24(28)21-10-14-26(15-11-21)31(29,30)23-12-13-25(3)17-23/h4-7,12-13,17-18,21-22H,8-11,14-16H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 443.61 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25472551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).