4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide

C17H24N2O2 — CID 119425791

IUPAC4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-13-5-7-14(8-6-13)16(20)9-10-17(21)19-15-4-3-11-18-12-15/h5-8,15,18H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyGKSMSMOZQQJQMY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.08
Rot. Bonds6

About 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide

4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide (PubChem CID 119425791) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
PubChem CID119425791
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-13-5-7-14(8-6-13)16(20)9-10-17(21)19-15-4-3-11-18-12-15/h5-8,15,18H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyGKSMSMOZQQJQMY-UHFFFAOYSA-N
XLogP2.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-(1,1-dioxothiolan-3-yl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 51240360
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137
2-(4-ethylphenoxy)-N-pyrrolidin-3-ylacetamide
CID 119450074
N-piperidin-3-ylpropanamide
CID 3520588
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
2-(3,4-dimethylphenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 94471135

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide (CID 119425791) is 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide is CCc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
The InChIKey is GKSMSMOZQQJQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-13-5-7-14(8-6-13)16(20)9-10-17(21)19-15-4-3-11-18-12-15/h5-8,15,18H,2-4,9-12H2,1H3,(H,19,21).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide has a molecular weight of 288.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide is sourced from PubChem (CID 119425791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).