N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide

C13H16ClFN2O — CID 17250026

IUPACN-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyJCENVZGUYUCNGD-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.74
Rot. Bonds1

About N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide

N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 17250026) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID17250026
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyJCENVZGUYUCNGD-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
(3S)-N-(4-chloro-2-fluorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 95050541
1-[(4-chloro-2-fluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136853
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide (CID 17250026) is N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(Cl)cc2F)C1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is JCENVZGUYUCNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 17250026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).