2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C28H32N4O2 — CID 55616121

IUPAC2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)C1
InChIInChI=1S/C28H32N4O2/c33-26(19-22-7-2-1-3-8-22)32-14-6-12-25(21-32)28(34)31-17-15-30(16-18-31)20-24-10-4-9-23-11-5-13-29-27(23)24/h1-5,7-11,13,25H,6,12,14-21H2
InChIKeyCUYYROXLBKJPMZ-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.36
Rot. Bonds5

About 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 55616121) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID55616121
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)C1
InChIInChI=1S/C28H32N4O2/c33-26(19-22-7-2-1-3-8-22)32-14-6-12-25(21-32)28(34)31-17-15-30(16-18-31)20-24-10-4-9-23-11-5-13-29-27(23)24/h1-5,7-11,13,25H,6,12,14-21H2
InChIKeyCUYYROXLBKJPMZ-UHFFFAOYSA-N
XLogP3.36
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
2-[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55606843
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
7-[[4-[1-(2-phenylacetyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55607717
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
1-[3-(1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119418627
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
2-(4-fluorophenyl)-1-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55740764
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 55616121) is 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCCC(C(=O)N2CCN(Cc3cccc4cccnc34)CC2)C1.
What is the InChIKey of 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CUYYROXLBKJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-26(19-22-7-2-1-3-8-22)32-14-6-12-25(21-32)28(34)31-17-15-30(16-18-31)20-24-10-4-9-23-11-5-13-29-27(23)24/h1-5,7-11,13,25H,6,12,14-21H2.
What are the key properties of 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 456.59 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 55616121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).