3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide

C15H21N3O3 — CID 118770928

IUPAC3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
SMILESCc1c(O)cccc1C(=O)NCCCN1CCNC(=O)C1
InChIInChI=1S/C15H21N3O3/c1-11-12(4-2-5-13(11)19)15(21)17-6-3-8-18-9-7-16-14(20)10-18/h2,4-5,19H,3,6-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyWEBSPQZUGLXIIV-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.25
Rot. Bonds5

About 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide

3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide (PubChem CID 118770928) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
PubChem CID118770928
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
SMILESCc1c(O)cccc1C(=O)NCCCN1CCNC(=O)C1
InChIInChI=1S/C15H21N3O3/c1-11-12(4-2-5-13(11)19)15(21)17-6-3-8-18-9-7-16-14(20)10-18/h2,4-5,19H,3,6-10H2,1H3,(H,16,20)(H,17,21)
InChIKeyWEBSPQZUGLXIIV-UHFFFAOYSA-N
XLogP0.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118792289
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-3-hydroxy-2-methylbenzamide
CID 142095536
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
2-methyl-3-nitro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391123
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
N-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 77089234
2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
CID 118769580
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide (CID 118770928) is 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide is Cc1c(O)cccc1C(=O)NCCCN1CCNC(=O)C1.
What is the InChIKey of 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
The InChIKey is WEBSPQZUGLXIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-12(4-2-5-13(11)19)15(21)17-6-3-8-18-9-7-16-14(20)10-18/h2,4-5,19H,3,6-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide?
3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 118770928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).