3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide

C22H24N4O3 — CID 60553812

IUPAC3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCn2cnc3ccccc32)cc1N1CCCCC1=O
InChIInChI=1S/C22H24N4O3/c1-29-20-10-9-16(14-19(20)26-12-5-4-8-22(26)28)24-21(27)11-13-25-15-23-17-6-2-3-7-18(17)25/h2-3,6-7,9-10,14-15H,4-5,8,11-13H2,1H3,(H,24,27)
InChIKeyXNEHIJRCGRQANN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.59
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide

3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide (PubChem CID 60553812) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
PubChem CID60553812
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCn2cnc3ccccc32)cc1N1CCCCC1=O
InChIInChI=1S/C22H24N4O3/c1-29-20-10-9-16(14-19(20)26-12-5-4-8-22(26)28)24-21(27)11-13-25-15-23-17-6-2-3-7-18(17)25/h2-3,6-7,9-10,14-15H,4-5,8,11-13H2,1H3,(H,24,27)
InChIKeyXNEHIJRCGRQANN-UHFFFAOYSA-N
XLogP3.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
4-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
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3-(2,5-dioxopyrrolidin-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 55691831
4-(2-ethoxyphenoxy)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
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N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55692126
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55691949
3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
CID 60553645
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55692006
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide (CID 60553812) is 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide is COc1ccc(NC(=O)CCn2cnc3ccccc32)cc1N1CCCCC1=O.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
The InChIKey is XNEHIJRCGRQANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-20-10-9-16(14-19(20)26-12-5-4-8-22(26)28)24-21(27)11-13-25-15-23-17-6-2-3-7-18(17)25/h2-3,6-7,9-10,14-15H,4-5,8,11-13H2,1H3,(H,24,27).
What are the key properties of 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 60553812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).