1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone

C17H25N3O — CID 22355892

IUPAC1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c21-17(14-19-12-8-18-9-13-19)20-10-6-16(7-11-20)15-4-2-1-3-5-15/h1-5,16,18H,6-14H2
InChIKeyATRNZTQHTUFQDW-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.30
Rot. Bonds3

About 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone

1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone (PubChem CID 22355892) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
PubChem CID22355892
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c21-17(14-19-12-8-18-9-13-19)20-10-6-16(7-11-20)15-4-2-1-3-5-15/h1-5,16,18H,6-14H2
InChIKeyATRNZTQHTUFQDW-UHFFFAOYSA-N
XLogP1.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62833293
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
CID 67794190
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 95592150
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 72840049
1-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70784337
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 104569524
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
2-[4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826194

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone (CID 22355892) is 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is ATRNZTQHTUFQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(14-19-12-8-18-9-13-19)20-10-6-16(7-11-20)15-4-2-1-3-5-15/h1-5,16,18H,6-14H2.
What are the key properties of 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone?
1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 287.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperidin-1-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 22355892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).