1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide

C25H29N5O4 — CID 45243699

IUPAC1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCCC(C(N)=O)C2)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C25H29N5O4/c1-34-15-22(31)28-21-13-19(25(33)29-10-5-8-18(14-29)24(26)32)12-20-23(21)30(16-27-20)11-9-17-6-3-2-4-7-17/h2-4,6-7,12-13,16,18H,5,8-11,14-15H2,1H3,(H2,26,32)(H,28,31)
InChIKeyDCJXDPFTHBIITE-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.20
Rot. Bonds8

About 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide

1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 45243699) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID45243699
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCCC(C(N)=O)C2)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C25H29N5O4/c1-34-15-22(31)28-21-13-19(25(33)29-10-5-8-18(14-29)24(26)32)12-20-23(21)30(16-27-20)11-9-17-6-3-2-4-7-17/h2-4,6-7,12-13,16,18H,5,8-11,14-15H2,1H3,(H2,26,32)(H,28,31)
InChIKeyDCJXDPFTHBIITE-UHFFFAOYSA-N
XLogP2.20
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[6-[(3S)-3-benzoylpiperidine-1-carbonyl]-3-(2-pyridin-2-ylethyl)benzimidazol-4-yl]acetamide
CID 42480462
7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 45175032
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
CID 42431979
ethyl 1-[3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carbonyl]piperidine-3-carboxylate
CID 45216934
1-(3,5-dimethylbenzoyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55792207
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide (CID 45243699) is 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide is COCC(=O)Nc1cc(C(=O)N2CCCC(C(N)=O)C2)cc2ncn(CCc3ccccc3)c12.
What is the InChIKey of 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is DCJXDPFTHBIITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-34-15-22(31)28-21-13-19(25(33)29-10-5-8-18(14-29)24(26)32)12-20-23(21)30(16-27-20)11-9-17-6-3-2-4-7-17/h2-4,6-7,12-13,16,18H,5,8-11,14-15H2,1H3,(H2,26,32)(H,28,31).
What are the key properties of 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide?
1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 45243699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).