N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide

C15H23N3O2 — CID 82829349

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C15H23N3O2/c1-11-13(5-4-6-14(11)19)15(20)16-9-12-10-17(2)7-8-18(12)3/h4-6,12,19H,7-10H2,1-3H3,(H,16,20)
InChIKeyUVXXXQWFPGTWAH-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.68
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82829349) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
PubChem CID82829349
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C15H23N3O2/c1-11-13(5-4-6-14(11)19)15(20)16-9-12-10-17(2)7-8-18(12)3/h4-6,12,19H,7-10H2,1-3H3,(H,16,20)
InChIKeyUVXXXQWFPGTWAH-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-oxo-2,3-dihydroindene-4-carboxamide
CID 131902065
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 63897320
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957035
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63884571
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
2-amino-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897211
3-carbamothioyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]benzamide
CID 63897121

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide (CID 82829349) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is UVXXXQWFPGTWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-13(5-4-6-14(11)19)15(20)16-9-12-10-17(2)7-8-18(12)3/h4-6,12,19H,7-10H2,1-3H3,(H,16,20).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).