1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one

C16H22N2O3 — CID 108534806

IUPAC1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C16H22N2O3/c1-2-3-8-15(20)17-9-11-18(12-10-17)16(21)13-6-4-5-7-14(13)19/h4-7,19H,2-3,8-12H2,1H3
InChIKeyUTFAEBVLOPVXCM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.87
Rot. Bonds4

About 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one

1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one (PubChem CID 108534806) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
PubChem CID108534806
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C16H22N2O3/c1-2-3-8-15(20)17-9-11-18(12-10-17)16(21)13-6-4-5-7-14(13)19/h4-7,19H,2-3,8-12H2,1H3
InChIKeyUTFAEBVLOPVXCM-UHFFFAOYSA-N
XLogP1.87
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55851103
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]hexan-1-one
CID 78850355
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800670
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
2-[4-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
CID 55646044
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800718
1-[4-(2,3,4-trifluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110797204
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one (CID 108534806) is 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
The InChIKey is UTFAEBVLOPVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-8-15(20)17-9-11-18(12-10-17)16(21)13-6-4-5-7-14(13)19/h4-7,19H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one has a molecular weight of 290.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 108534806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).