N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide

C22H24N4O — CID 14664367

IUPACN-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O/c27-22(19-6-8-21(9-7-19)26-15-12-23-17-26)24-20-10-13-25(14-11-20)16-18-4-2-1-3-5-18/h1-9,12,15,17,20H,10-11,13-14,16H2,(H,24,27)
InChIKeyNIXJJSPSRKVXSD-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.27
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide

N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide (PubChem CID 14664367) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
PubChem CID14664367
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O/c27-22(19-6-8-21(9-7-19)26-15-12-23-17-26)24-20-10-13-25(14-11-20)16-18-4-2-1-3-5-18/h1-9,12,15,17,20H,10-11,13-14,16H2,(H,24,27)
InChIKeyNIXJJSPSRKVXSD-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide (CID 14664367) is N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
The InChIKey is NIXJJSPSRKVXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(19-6-8-21(9-7-19)26-15-12-23-17-26)24-20-10-13-25(14-11-20)16-18-4-2-1-3-5-18/h1-9,12,15,17,20H,10-11,13-14,16H2,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide has a molecular weight of 360.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 14664367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).