N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide

C14H18FN3O2 — CID 107067383

IUPACN-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C14H18FN3O2/c1-8-3-2-6-17-12(8)14(20)18-9-4-5-11(15)10(7-9)13(16)19/h4-5,7-8,12,17H,2-3,6H2,1H3,(H2,16,19)(H,18,20)
InChIKeyQNVGVJRLHANBHN-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.25
Rot. Bonds3

About N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107067383) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107067383
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C14H18FN3O2/c1-8-3-2-6-17-12(8)14(20)18-9-4-5-11(15)10(7-9)13(16)19/h4-5,7-8,12,17H,2-3,6H2,1H3,(H2,16,19)(H,18,20)
InChIKeyQNVGVJRLHANBHN-UHFFFAOYSA-N
XLogP1.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide (CID 107067383) is N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is QNVGVJRLHANBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8-3-2-6-17-12(8)14(20)18-9-4-5-11(15)10(7-9)13(16)19/h4-5,7-8,12,17H,2-3,6H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).