3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide

C15H23N3O2 — CID 43443390

IUPAC3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCNCC2)cc1O
InChIInChI=1S/C15H23N3O2/c1-12-3-4-13(11-14(12)19)15(20)17-5-2-8-18-9-6-16-7-10-18/h3-4,11,16,19H,2,5-10H2,1H3,(H,17,20)
InChIKeyCXDIARRQHKAPRX-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.73
Rot. Bonds5

About 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide

3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 43443390) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID43443390
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCCCN2CCNCC2)cc1O
InChIInChI=1S/C15H23N3O2/c1-12-3-4-13(11-14(12)19)15(20)17-5-2-8-18-9-6-16-7-10-18/h3-4,11,16,19H,2,5-10H2,1H3,(H,17,20)
InChIKeyCXDIARRQHKAPRX-UHFFFAOYSA-N
XLogP0.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.73
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

3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide (CID 43443390) is 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide is Cc1ccc(C(=O)NCCCN2CCNCC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is CXDIARRQHKAPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-3-4-13(11-14(12)19)15(20)17-5-2-8-18-9-6-16-7-10-18/h3-4,11,16,19H,2,5-10H2,1H3,(H,17,20).
What are the key properties of 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide?
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 43443390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).