1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide

C25H30N2O2 — CID 46931307

IUPAC1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide
SMILESCCc1ccc(C2CC(C(=O)Nc3ccccc3)CN(C(=O)CC3CC3)C2)cc1
InChIInChI=1S/C25H30N2O2/c1-2-18-10-12-20(13-11-18)21-15-22(25(29)26-23-6-4-3-5-7-23)17-27(16-21)24(28)14-19-8-9-19/h3-7,10-13,19,21-22H,2,8-9,14-17H2,1H3,(H,26,29)
InChIKeyFYUZPVYYQUQINS-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.62
Rot. Bonds6

About 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide

1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 46931307) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide
PubChem CID46931307
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide
SMILESCCc1ccc(C2CC(C(=O)Nc3ccccc3)CN(C(=O)CC3CC3)C2)cc1
InChIInChI=1S/C25H30N2O2/c1-2-18-10-12-20(13-11-18)21-15-22(25(29)26-23-6-4-3-5-7-23)17-27(16-21)24(28)14-19-8-9-19/h3-7,10-13,19,21-22H,2,8-9,14-17H2,1H3,(H,26,29)
InChIKeyFYUZPVYYQUQINS-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42865370
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93000015
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-1-[2-(4-phenylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119174116
(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 27745511
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide (CID 46931307) is 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide is CCc1ccc(C2CC(C(=O)Nc3ccccc3)CN(C(=O)CC3CC3)C2)cc1.
What is the InChIKey of 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is FYUZPVYYQUQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-18-10-12-20(13-11-18)21-15-22(25(29)26-23-6-4-3-5-7-23)17-27(16-21)24(28)14-19-8-9-19/h3-7,10-13,19,21-22H,2,8-9,14-17H2,1H3,(H,26,29).
What are the key properties of 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide?
1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylacetyl)-5-(4-ethylphenyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46931307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).