N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

C20H30N2O3S — CID 24603644

IUPACN-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C2CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-15(2)17-6-4-16(5-7-17)14-22(19-8-9-19)20(23)18-10-12-21(13-11-18)26(3,24)25/h4-7,15,18-19H,8-14H2,1-3H3
InChIKeyGVDKKZHQCPFNHD-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.97
Rot. Bonds6

About N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 24603644) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID24603644
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C2CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-15(2)17-6-4-16(5-7-17)14-22(19-8-9-19)20(23)18-10-12-21(13-11-18)26(3,24)25/h4-7,15,18-19H,8-14H2,1-3H3
InChIKeyGVDKKZHQCPFNHD-UHFFFAOYSA-N
XLogP2.97
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 25472551
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
CID 55633668
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 52651235
1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 55980735
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 24603644) is N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)c1ccc(CN(C(=O)C2CCN(S(C)(=O)=O)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GVDKKZHQCPFNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15(2)17-6-4-16(5-7-17)14-22(19-8-9-19)20(23)18-10-12-21(13-11-18)26(3,24)25/h4-7,15,18-19H,8-14H2,1-3H3.
What are the key properties of N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24603644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).