[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone

C16H21N3O3 — CID 119294607

IUPAC[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccccc1O)N1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C16H21N3O3/c20-14-6-2-1-4-12(14)15(21)18-8-10-19(11-9-18)16(22)13-5-3-7-17-13/h1-2,4,6,13,17,20H,3,5,7-11H2
InChIKeyJYLOKIFOWNBZRS-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.43
Rot. Bonds2

About [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119294607) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119294607
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(c1ccccc1O)N1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C16H21N3O3/c20-14-6-2-1-4-12(14)15(21)18-8-10-19(11-9-18)16(22)13-5-3-7-17-13/h1-2,4,6,13,17,20H,3,5,7-11H2
InChIKeyJYLOKIFOWNBZRS-UHFFFAOYSA-N
XLogP0.43
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyphenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 60715693
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 142475066
[4-(2-hydroxyphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 60937633
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278777
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 119294607) is [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is O=C(c1ccccc1O)N1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is JYLOKIFOWNBZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-14-6-2-1-4-12(14)15(21)18-8-10-19(11-9-18)16(22)13-5-3-7-17-13/h1-2,4,6,13,17,20H,3,5,7-11H2.
What are the key properties of [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 303.36 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119294607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).