2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

C21H22N4O3 — CID 42932459

IUPAC2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C21H22N4O3/c22-19(26)13-28-16-9-7-14(8-10-16)21(27)25-11-3-4-15(12-25)20-23-17-5-1-2-6-18(17)24-20/h1-2,5-10,15H,3-4,11-13H2,(H2,22,26)(H,23,24)
InChIKeyHCPNPAZVYRKZHN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide

2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (PubChem CID 42932459) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
PubChem CID42932459
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C21H22N4O3/c22-19(26)13-28-16-9-7-14(8-10-16)21(27)25-11-3-4-15(12-25)20-23-17-5-1-2-6-18(17)24-20/h1-2,5-10,15H,3-4,11-13H2,(H2,22,26)(H,23,24)
InChIKeyHCPNPAZVYRKZHN-UHFFFAOYSA-N
XLogP2.45
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-butoxyphenyl)methanone
CID 46692363
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 55497086
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 42932458
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide (CID 42932459) is 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is NC(=O)COc1ccc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
The InChIKey is HCPNPAZVYRKZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-19(26)13-28-16-9-7-14(8-10-16)21(27)25-11-3-4-15(12-25)20-23-17-5-1-2-6-18(17)24-20/h1-2,5-10,15H,3-4,11-13H2,(H2,22,26)(H,23,24).
What are the key properties of 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide?
2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 42932459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).