N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide

C16H21FN4O — CID 119883596

IUPACN-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCn1c(CCNC(=O)C2CCCNC2)nc2c(F)cccc21
InChIInChI=1S/C16H21FN4O/c1-21-13-6-2-5-12(17)15(13)20-14(21)7-9-19-16(22)11-4-3-8-18-10-11/h2,5-6,11,18H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyFRPVEDQCUZYONM-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.37
Rot. Bonds4

About N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide

N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 119883596) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID119883596
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCn1c(CCNC(=O)C2CCCNC2)nc2c(F)cccc21
InChIInChI=1S/C16H21FN4O/c1-21-13-6-2-5-12(17)15(13)20-14(21)7-9-19-16(22)11-4-3-8-18-10-11/h2,5-6,11,18H,3-4,7-10H2,1H3,(H,19,22)
InChIKeyFRPVEDQCUZYONM-UHFFFAOYSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
trans-(1R,2R)-2-(2,3-dichlorophenyl)-N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 99806798
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
3-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065547
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
(1S,6R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide;dihydrochloride
CID 154905048

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide (CID 119883596) is N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide is Cn1c(CCNC(=O)C2CCCNC2)nc2c(F)cccc21.
What is the InChIKey of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is FRPVEDQCUZYONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-21-13-6-2-5-12(17)15(13)20-14(21)7-9-19-16(22)11-4-3-8-18-10-11/h2,5-6,11,18H,3-4,7-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide?
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119883596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).