1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide

C20H30N4O2 — CID 120757919

IUPAC1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCCc1ccc(C2CNCCN2CC(=O)N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C20H30N4O2/c1-2-15-5-7-16(8-6-15)18-12-22-9-11-23(18)14-19(25)24-10-3-4-17(13-24)20(21)26/h5-8,17-18,22H,2-4,9-14H2,1H3,(H2,21,26)
InChIKeyHBUHBRTUXVGDHQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.92
Rot. Bonds5

About 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 120757919) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID120757919
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
SMILESCCc1ccc(C2CNCCN2CC(=O)N2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C20H30N4O2/c1-2-15-5-7-16(8-6-15)18-12-22-9-11-23(18)14-19(25)24-10-3-4-17(13-24)20(21)26/h5-8,17-18,22H,2-4,9-14H2,1H3,(H2,21,26)
InChIKeyHBUHBRTUXVGDHQ-UHFFFAOYSA-N
XLogP0.92
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide (CID 120757919) is 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is CCc1ccc(C2CNCCN2CC(=O)N2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is HBUHBRTUXVGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-15-5-7-16(8-6-15)18-12-22-9-11-23(18)14-19(25)24-10-3-4-17(13-24)20(21)26/h5-8,17-18,22H,2-4,9-14H2,1H3,(H2,21,26).
What are the key properties of 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethylphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 120757919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).