N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide

C17H22N4O — CID 77082920

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C17H22N4O/c22-17(20-9-7-16-11-19-12-21-16)14-5-3-13(4-6-14)15-2-1-8-18-10-15/h3-6,11-12,15,18H,1-2,7-10H2,(H,19,21)(H,20,22)
InChIKeyOSXNOLGTCPJOIE-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide (PubChem CID 77082920) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
PubChem CID77082920
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C17H22N4O/c22-17(20-9-7-16-11-19-12-21-16)14-5-3-13(4-6-14)15-2-1-8-18-10-15/h3-6,11-12,15,18H,1-2,7-10H2,(H,19,21)(H,20,22)
InChIKeyOSXNOLGTCPJOIE-UHFFFAOYSA-N
XLogP1.85
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 95721087
4-piperidin-3-yl-N-(2-pyrazin-2-ylethyl)benzamide
CID 72860445
4-[(3R)-piperidin-3-yl]-N-(2-pyrazin-2-ylethyl)benzamide
CID 97191641
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
N-(3-cyclopentyloxypropyl)-4-[(3R)-piperidin-3-yl]benzamide
CID 97189956
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide (CID 77082920) is N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide is O=C(NCCc1cnc[nH]1)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide?
The InChIKey is OSXNOLGTCPJOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(20-9-7-16-11-19-12-21-16)14-5-3-13(4-6-14)15-2-1-8-18-10-15/h3-6,11-12,15,18H,1-2,7-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 77082920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).