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

C18H24N4O — CID 95721087

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(C[C@@H]2CCCNC2)cc1
InChIInChI=1S/C18H24N4O/c23-18(21-9-7-17-12-20-13-22-17)16-5-3-14(4-6-16)10-15-2-1-8-19-11-15/h3-6,12-13,15,19H,1-2,7-11H2,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyVYFVMJLBVRNROK-HNNXBMFYSA-N
MW312.42 g/mol
LogP1.92
Rot. Bonds6

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

N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide (PubChem CID 95721087) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
PubChem CID95721087
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide
SMILESO=C(NCCc1cnc[nH]1)c1ccc(C[C@@H]2CCCNC2)cc1
InChIInChI=1S/C18H24N4O/c23-18(21-9-7-17-12-20-13-22-17)16-5-3-14(4-6-16)10-15-2-1-8-19-11-15/h3-6,12-13,15,19H,1-2,7-11H2,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyVYFVMJLBVRNROK-HNNXBMFYSA-N
XLogP1.92
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 77082920
4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
N-[2-(1H-imidazol-2-yl)ethyl]-4-(pyrrolidin-3-ylmethyl)benzamide;dihydrochloride
CID 171325623
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95730046
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 95726413
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
N-[2-(1H-imidazol-5-yl)ethyl]-4-sulfamoylbenzamide
CID 10851318
N-[2-(1H-imidazol-5-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74236568
N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
CID 56900934

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide (CID 95721087) is N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide is O=C(NCCc1cnc[nH]1)c1ccc(C[C@@H]2CCCNC2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
The InChIKey is VYFVMJLBVRNROK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-18(21-9-7-17-12-20-13-22-17)16-5-3-14(4-6-16)10-15-2-1-8-19-11-15/h3-6,12-13,15,19H,1-2,7-11H2,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-[[(3S)-piperidin-3-yl]methyl]benzamide has a molecular weight of 312.42 g/mol, XLogP of 1.92, 6 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-[[(3S)-piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95721087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).