N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C20H22ClFN2O — CID 43921645

IUPACN-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22ClFN2O/c1-14-18(21)5-2-6-19(14)23-20(25)16-4-3-11-24(13-16)12-15-7-9-17(22)10-8-15/h2,5-10,16H,3-4,11-13H2,1H3,(H,23,25)
InChIKeyIGWUJLCEUCKWPH-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.64
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43921645) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43921645
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H22ClFN2O/c1-14-18(21)5-2-6-19(14)23-20(25)16-4-3-11-24(13-16)12-15-7-9-17(22)10-8-15/h2,5-10,16H,3-4,11-13H2,1H3,(H,23,25)
InChIKeyIGWUJLCEUCKWPH-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[(3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 93492164
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490949
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
(3S)-1-[(4-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491924
N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43926086
(3R)-1-benzyl-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 93490945
(3S)-N-(3-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491505
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43921645) is N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is IGWUJLCEUCKWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-14-18(21)5-2-6-19(14)23-20(25)16-4-3-11-24(13-16)12-15-7-9-17(22)10-8-15/h2,5-10,16H,3-4,11-13H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 360.86 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43921645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).