[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

C17H23N3O3 — CID 56891026

IUPAC[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCNCC2C(=O)N2CCCC2)cc1O
InChIInChI=1S/C17H23N3O3/c1-12-4-5-13(10-15(12)21)16(22)20-9-6-18-11-14(20)17(23)19-7-2-3-8-19/h4-5,10,14,18,21H,2-3,6-9,11H2,1H3
InChIKeyFSQRWBYDDDPMRT-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.74
Rot. Bonds2

About [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56891026) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56891026
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCNCC2C(=O)N2CCCC2)cc1O
InChIInChI=1S/C17H23N3O3/c1-12-4-5-13(10-15(12)21)16(22)20-9-6-18-11-14(20)17(23)19-7-2-3-8-19/h4-5,10,14,18,21H,2-3,6-9,11H2,1H3
InChIKeyFSQRWBYDDDPMRT-UHFFFAOYSA-N
XLogP0.74
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
CID 107728749
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
6-methyl-4-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95722562
[2-(chloromethyl)azepan-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 116639245
[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95715274
N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
CID 95723230
1-(3-hydroxy-4-methylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432869
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95726530
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526

Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56891026) is [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(C(=O)N2CCNCC2C(=O)N2CCCC2)cc1O.
What is the InChIKey of [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FSQRWBYDDDPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-4-5-13(10-15(12)21)16(22)20-9-6-18-11-14(20)17(23)19-7-2-3-8-19/h4-5,10,14,18,21H,2-3,6-9,11H2,1H3.
What are the key properties of [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 317.39 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56891026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).