1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide

C20H28N2O2 — CID 110673883

IUPAC1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(CC(=O)N2CCC(C(N)=O)CC2)C2CC2)cc1C
InChIInChI=1S/C20H28N2O2/c1-13-3-4-17(11-14(13)2)18(15-5-6-15)12-19(23)22-9-7-16(8-10-22)20(21)24/h3-4,11,15-16,18H,5-10,12H2,1-2H3,(H2,21,24)
InChIKeyFLVSFTKTCWFJKR-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.91
Rot. Bonds5

About 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide

1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 110673883) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID110673883
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(CC(=O)N2CCC(C(N)=O)CC2)C2CC2)cc1C
InChIInChI=1S/C20H28N2O2/c1-13-3-4-17(11-14(13)2)18(15-5-6-15)12-19(23)22-9-7-16(8-10-22)20(21)24/h3-4,11,15-16,18H,5-10,12H2,1-2H3,(H2,21,24)
InChIKeyFLVSFTKTCWFJKR-UHFFFAOYSA-N
XLogP2.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
(1R,5R)-1,5-dicyclopropyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304311
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
1,5-dicyclopentyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011666
1,5-di(cyclobutyl)-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 73011541
ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
CID 110413273
(1R,5R)-1,5-dicyclohexyl-1,5-bis(3,4-dimethylphenyl)pentan-3-one
CID 97304221
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110417225
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312177
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
3-cyclopropyl-3-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110425924
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 110304874

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide (CID 110673883) is 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide is Cc1ccc(C(CC(=O)N2CCC(C(N)=O)CC2)C2CC2)cc1C.
What is the InChIKey of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is FLVSFTKTCWFJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-3-4-17(11-14(13)2)18(15-5-6-15)12-19(23)22-9-7-16(8-10-22)20(21)24/h3-4,11,15-16,18H,5-10,12H2,1-2H3,(H2,21,24).
What are the key properties of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide?
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 110673883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).