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

C22H26N4O — CID 124831148

IUPAC(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C22H26N4O/c1-2-26-20-13-7-6-12-19(20)24-21(26)16-25-14-8-9-17(15-25)22(27)23-18-10-4-3-5-11-18/h3-7,10-13,17H,2,8-9,14-16H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyNCDNLZMPFMHUPT-QGZVFWFLSA-N
MW362.48 g/mol
LogP3.91
Rot. Bonds5

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

(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 124831148) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID124831148
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCCn1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C22H26N4O/c1-2-26-20-13-7-6-12-19(20)24-21(26)16-25-14-8-9-17(15-25)22(27)23-18-10-4-3-5-11-18/h3-7,10-13,17H,2,8-9,14-16H2,1H3,(H,23,27)/t17-/m1/s1
InChIKeyNCDNLZMPFMHUPT-QGZVFWFLSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-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-(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
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 124831271
(3S)-N-(2,5-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124830402
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 124805141
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 124799800
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
CID 124830583

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide (CID 124831148) is (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide is CCn1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is NCDNLZMPFMHUPT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-26-20-13-7-6-12-19(20)24-21(26)16-25-14-8-9-17(15-25)22(27)23-18-10-4-3-5-11-18/h3-7,10-13,17H,2,8-9,14-16H2,1H3,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.91, 5 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-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 124831148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).