1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C21H30N2O2 — CID 91652591

IUPAC1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C21H30N2O2/c1-15(2)22(3)20(24)19-11-13-23(14-12-19)21(25)18-9-7-17(8-10-18)16-5-4-6-16/h7-10,15-16,19H,4-6,11-14H2,1-3H3
InChIKeyRWBUBMYPKUQQFG-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 91652591) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID91652591
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1
InChIInChI=1S/C21H30N2O2/c1-15(2)22(3)20(24)19-11-13-23(14-12-19)21(25)18-9-7-17(8-10-18)16-5-4-6-16/h7-10,15-16,19H,4-6,11-14H2,1-3H3
InChIKeyRWBUBMYPKUQQFG-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
N-methyl-N-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 154773993
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864334
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43059958
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
1-[(3S)-3-amino-3-phenylpropanoyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 99850189
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N-methyl-N-(2-methylpropyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 134058944

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 91652591) is 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RWBUBMYPKUQQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15(2)22(3)20(24)19-11-13-23(14-12-19)21(25)18-9-7-17(8-10-18)16-5-4-6-16/h7-10,15-16,19H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylbenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 91652591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).