(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide

C24H30N4O — CID 124814766

IUPAC(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
SMILESCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc1
InChIInChI=1S/C24H30N4O/c1-3-7-18-11-13-20(14-12-18)25-24(29)19-8-6-15-28(16-19)17-23-26-21-9-4-5-10-22(21)27(23)2/h4-5,9-14,19H,3,6-8,15-17H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyXEKWTTPJTXZFDL-LJQANCHMSA-N
MW390.53 g/mol
LogP4.38
Rot. Bonds6

About (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide (PubChem CID 124814766) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
PubChem CID124814766
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
SMILESCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc1
InChIInChI=1S/C24H30N4O/c1-3-7-18-11-13-20(14-12-18)25-24(29)19-8-6-15-28(16-19)17-23-26-21-9-4-5-10-22(21)27(23)2/h4-5,9-14,19H,3,6-8,15-17H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyXEKWTTPJTXZFDL-LJQANCHMSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124822331
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(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
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
CID 124830583
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 124805141

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide (CID 124814766) is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide is CCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)cc1.
What is the InChIKey of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide?
The InChIKey is XEKWTTPJTXZFDL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-7-18-11-13-20(14-12-18)25-24(29)19-8-6-15-28(16-19)17-23-26-21-9-4-5-10-22(21)27(23)2/h4-5,9-14,19H,3,6-8,15-17H2,1-2H3,(H,25,29)/t19-/m1/s1.
What are the key properties of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide?
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 124814766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).