N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide

C20H21FN4O2 — CID 119854454

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)CCNCC1
InChIInChI=1S/C20H21FN4O2/c1-27-20(8-10-22-11-9-20)19(26)23-15-6-7-16-17(12-15)25-18(24-16)13-2-4-14(21)5-3-13/h2-7,12,22H,8-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyXLPSXYDMCWZACW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119854454) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
PubChem CID119854454
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)CCNCC1
InChIInChI=1S/C20H21FN4O2/c1-27-20(8-10-22-11-9-20)19(26)23-15-6-7-16-17(12-15)25-18(24-16)13-2-4-14(21)5-3-13/h2-7,12,22H,8-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyXLPSXYDMCWZACW-UHFFFAOYSA-N
XLogP3.08
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896427
4-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860407
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide
CID 166314855
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119774008

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide (CID 119854454) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)CCNCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is XLPSXYDMCWZACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-20(8-10-22-11-9-20)19(26)23-15-6-7-16-17(12-15)25-18(24-16)13-2-4-14(21)5-3-13/h2-7,12,22H,8-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119854454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).