(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide

C16H22N2O2 — CID 172675194

IUPAC(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
SMILESCCc1ccccc1CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H22N2O2/c1-2-12-6-3-4-7-13(12)10-15(19)18-9-5-8-14(11-18)16(17)20/h3-4,6-7,14H,2,5,8-11H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyIFJNGSWSPUXOCR-AWEZNQCLSA-N
MW274.36 g/mol
LogP1.52
Rot. Bonds4

About (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide

(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 172675194) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
PubChem CID172675194
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
SMILESCCc1ccccc1CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C16H22N2O2/c1-2-12-6-3-4-7-13(12)10-15(19)18-9-5-8-14(11-18)16(17)20/h3-4,6-7,14H,2,5,8-11H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyIFJNGSWSPUXOCR-AWEZNQCLSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
(3S)-1-[2-(2-chloro-3-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172908612
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
(3S)-1-[2-(1,3-benzothiazol-7-yl)acetyl]piperidine-3-carboxamide
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1-(2,6-diethylphenyl)piperidine-3-carboxamide
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(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
(3S)-1-[2-(3-bromo-2-chloro-4-pyridinyl)acetyl]piperidine-3-carboxamide
CID 172675086
1-acetyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127245309

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide (CID 172675194) is (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide is CCc1ccccc1CC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is IFJNGSWSPUXOCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-12-6-3-4-7-13(12)10-15(19)18-9-5-8-14(11-18)16(17)20/h3-4,6-7,14H,2,5,8-11H2,1H3,(H2,17,20)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide?
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 172675194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).