N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C14H16ClF3N2O — CID 171622043

IUPACN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H16ClF3N2O/c15-11-2-1-10(12(7-11)14(16,17)18)8-20-13(21)9-3-5-19-6-4-9/h1-2,7,9,19H,3-6,8H2,(H,20,21)
InChIKeyPPYUNUHTYQPPNA-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.97
Rot. Bonds3

About N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 171622043) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID171622043
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H16ClF3N2O/c15-11-2-1-10(12(7-11)14(16,17)18)8-20-13(21)9-3-5-19-6-4-9/h1-2,7,9,19H,3-6,8H2,(H,20,21)
InChIKeyPPYUNUHTYQPPNA-UHFFFAOYSA-N
XLogP2.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171622073
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 67195679
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
CID 138562720
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 171622043) is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is PPYUNUHTYQPPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-11-2-1-10(12(7-11)14(16,17)18)8-20-13(21)9-3-5-19-6-4-9/h1-2,7,9,19H,3-6,8H2,(H,20,21).
What are the key properties of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 171622043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).