4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide

C17H20N4O — CID 120910369

IUPAC4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C17H20N4O/c18-17(22)15-3-1-13(2-4-15)12-21-10-9-20-11-16(21)14-5-7-19-8-6-14/h1-8,16,20H,9-12H2,(H2,18,22)
InChIKeyMGRSYVZSCOVUGW-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.33
Rot. Bonds4

About 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide

4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide (PubChem CID 120910369) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
PubChem CID120910369
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCNCC2c2ccncc2)cc1
InChIInChI=1S/C17H20N4O/c18-17(22)15-3-1-13(2-4-15)12-21-10-9-20-11-16(21)14-5-7-19-8-6-14/h1-8,16,20H,9-12H2,(H2,18,22)
InChIKeyMGRSYVZSCOVUGW-UHFFFAOYSA-N
XLogP1.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
1-[[4-(difluoromethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910278
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
4-[[(2R)-2-methylpiperazin-1-yl]methyl]benzamide
CID 82713644
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910181
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
CID 120910881
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide (CID 120910369) is 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCNCC2c2ccncc2)cc1.
What is the InChIKey of 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
The InChIKey is MGRSYVZSCOVUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-17(22)15-3-1-13(2-4-15)12-21-10-9-20-11-16(21)14-5-7-19-8-6-14/h1-8,16,20H,9-12H2,(H2,18,22).
What are the key properties of 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide?
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 120910369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).