(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C24H30N4O — CID 124799800

IUPAC(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)nc2ccccc21
InChIInChI=1S/C24H30N4O/c1-3-28-22-12-5-4-11-21(22)26-23(28)17-27-13-7-10-20(16-27)24(29)25-15-19-9-6-8-18(2)14-19/h4-6,8-9,11-12,14,20H,3,7,10,13,15-17H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeyQDVZMUKKLAJWAH-HXUWFJFHSA-N
MW390.53 g/mol
LogP3.89
Rot. Bonds6

About (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 124799800) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID124799800
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)nc2ccccc21
InChIInChI=1S/C24H30N4O/c1-3-28-22-12-5-4-11-21(22)26-23(28)17-27-13-7-10-20(16-27)24(29)25-15-19-9-6-8-18(2)14-19/h4-6,8-9,11-12,14,20H,3,7,10,13,15-17H2,1-2H3,(H,25,29)/t20-/m1/s1
InChIKeyQDVZMUKKLAJWAH-HXUWFJFHSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3S)-N-[2-(3-methylphenyl)ethyl]-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124816166
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 124799226
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 124813415
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
(3S)-N-(2,5-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124830402
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 124831271
(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45232932

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 124799800) is (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is CCn1c(CN2CCC[C@@H](C(=O)NCc3cccc(C)c3)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QDVZMUKKLAJWAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-28-22-12-5-4-11-21(22)26-23(28)17-27-13-7-10-20(16-27)24(29)25-15-19-9-6-8-18(2)14-19/h4-6,8-9,11-12,14,20H,3,7,10,13,15-17H2,1-2H3,(H,25,29)/t20-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124799800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).