1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone

C17H22N2O3 — CID 111538793

IUPAC1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C(CN1CCN(C(=O)C(O)c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H22N2O3/c20-15(13-6-7-13)12-18-8-10-19(11-9-18)17(22)16(21)14-4-2-1-3-5-14/h1-5,13,16,21H,6-12H2
InChIKeyAZKMIBPSUWRZEF-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.84
Rot. Bonds5

About 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone

1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 111538793) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID111538793
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C(CN1CCN(C(=O)C(O)c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H22N2O3/c20-15(13-6-7-13)12-18-8-10-19(11-9-18)17(22)16(21)14-4-2-1-3-5-14/h1-5,13,16,21H,6-12H2
InChIKeyAZKMIBPSUWRZEF-UHFFFAOYSA-N
XLogP0.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
1-[(3S)-3-aminopyrrolidin-1-yl]-2-hydroxy-2-phenylethanone
CID 115302102
1-(3-aminopyrrolidin-1-yl)-2-hydroxy-2-phenylethanone
CID 62068275
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 110879969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone (CID 111538793) is 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone is O=C(CN1CCN(C(=O)C(O)c2ccccc2)CC1)C1CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is AZKMIBPSUWRZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15(13-6-7-13)12-18-8-10-19(11-9-18)17(22)16(21)14-4-2-1-3-5-14/h1-5,13,16,21H,6-12H2.
What are the key properties of 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone?
1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 302.37 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 111538793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).