1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone

C19H27N3O3 — CID 128985646

IUPAC1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(O)(C(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O3/c1-16(23)22-9-5-8-19(25,15-22)18(24)21-12-10-20(11-13-21)14-17-6-3-2-4-7-17/h2-4,6-7,25H,5,8-15H2,1H3
InChIKeyXMUHQXIOCCOJDR-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.70
Rot. Bonds3

About 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone

1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 128985646) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID128985646
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(O)(C(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O3/c1-16(23)22-9-5-8-19(25,15-22)18(24)21-12-10-20(11-13-21)14-17-6-3-2-4-7-17/h2-4,6-7,25H,5,8-15H2,1H3
InChIKeyXMUHQXIOCCOJDR-UHFFFAOYSA-N
XLogP0.70
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-hydroxy-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 129486667
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone (CID 128985646) is 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone is CC(=O)N1CCCC(O)(C(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is XMUHQXIOCCOJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-16(23)22-9-5-8-19(25,15-22)18(24)21-12-10-20(11-13-21)14-17-6-3-2-4-7-17/h2-4,6-7,25H,5,8-15H2,1H3.
What are the key properties of 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone?
1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperazine-1-carbonyl)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 128985646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).