4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide

C18H24N4O — CID 119559215

IUPAC4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H24N4O/c23-18(21-9-7-15-2-1-8-19-12-15)17-5-3-16(4-6-17)13-22-11-10-20-14-22/h3-6,10-11,14-15,19H,1-2,7-9,12-13H2,(H,21,23)
InChIKeyACVFBZDDPQTNPK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.05
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide

4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119559215) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119559215
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H24N4O/c23-18(21-9-7-15-2-1-8-19-12-15)17-5-3-16(4-6-17)13-22-11-10-20-14-22/h3-6,10-11,14-15,19H,1-2,7-9,12-13H2,(H,21,23)
InChIKeyACVFBZDDPQTNPK-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119555811
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557065
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-(2-cyclohexylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922951
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557132
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-(imidazol-1-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93491347
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide (CID 119559215) is 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is ACVFBZDDPQTNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(21-9-7-15-2-1-8-19-12-15)17-5-3-16(4-6-17)13-22-11-10-20-14-22/h3-6,10-11,14-15,19H,1-2,7-9,12-13H2,(H,21,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide?
4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119559215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).