1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C18H25N3O2 — CID 110686098

IUPAC1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O2/c1-15(22)21-9-5-6-16(14-21)18(23)20-12-10-19(11-13-20)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyQEFSDYCTLPRVMS-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.59
Rot. Bonds2

About 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 110686098) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID110686098
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25N3O2/c1-15(22)21-9-5-6-16(14-21)18(23)20-12-10-19(11-13-20)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-14H2,1H3
InChIKeyQEFSDYCTLPRVMS-UHFFFAOYSA-N
XLogP1.59
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
[1-(2-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3820047
5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
1-[(3R)-3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]ethanone
CID 9041261
1-[(3S)-3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]ethanone
CID 9041257
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 110686098) is 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is QEFSDYCTLPRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-15(22)21-9-5-6-16(14-21)18(23)20-12-10-19(11-13-20)17-7-3-2-4-8-17/h2-4,7-8,16H,5-6,9-14H2,1H3.
What are the key properties of 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110686098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).