(3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide

C30H34N4O2 — CID 124893566

IUPAC(3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(Cn2c(CN3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)nc3ccccc32)cc1
InChIInChI=1S/C30H34N4O2/c1-21-10-11-22(2)27(17-21)32-30(35)24-7-6-16-33(19-24)20-29-31-26-8-4-5-9-28(26)34(29)18-23-12-14-25(36-3)15-13-23/h4-5,8-15,17,24H,6-7,16,18-20H2,1-3H3,(H,32,35)/t24-/m1/s1
InChIKeyNFKNQKBHTHTWDP-XMMPIXPASA-N
MW482.63 g/mol
LogP5.56
Rot. Bonds7

About (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide

(3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 124893566) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID124893566
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name(3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(Cn2c(CN3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)nc3ccccc32)cc1
InChIInChI=1S/C30H34N4O2/c1-21-10-11-22(2)27(17-21)32-30(35)24-7-6-16-33(19-24)20-29-31-26-8-4-5-9-28(26)34(29)18-23-12-14-25(36-3)15-13-23/h4-5,8-15,17,24H,6-7,16,18-20H2,1-3H3,(H,32,35)/t24-/m1/s1
InChIKeyNFKNQKBHTHTWDP-XMMPIXPASA-N
XLogP5.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 124805141
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 124805025
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 124798481
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 124818396
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 124818397
(3R)-N-(3-chloro-4-fluorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124799324
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 124799226
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 124804980
1-benzyl-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 43919133
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 124835412
N-(2,6-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxamide
CID 124798205

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide (CID 124893566) is (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide is COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)Nc4cc(C)ccc4C)C3)nc3ccccc32)cc1.
What is the InChIKey of (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is NFKNQKBHTHTWDP-XMMPIXPASA-N. The full InChI is InChI=1S/C30H34N4O2/c1-21-10-11-22(2)27(17-21)32-30(35)24-7-6-16-33(19-24)20-29-31-26-8-4-5-9-28(26)34(29)18-23-12-14-25(36-3)15-13-23/h4-5,8-15,17,24H,6-7,16,18-20H2,1-3H3,(H,32,35)/t24-/m1/s1.
What are the key properties of (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide?
(3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-dimethylphenyl)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124893566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).