(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide

C14H17F3N2O — CID 95146043

IUPAC(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-6-2-1-5-10(11)9-19-8-4-3-7-12(19)13(18)20/h1-2,5-6,12H,3-4,7-9H2,(H2,18,20)/t12-/m0/s1
InChIKeyWZNTXZMWBJPNDN-LBPRGKRZSA-N
MW286.30 g/mol
LogP2.55
Rot. Bonds3

About (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide

(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 95146043) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID95146043
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-6-2-1-5-10(11)9-19-8-4-3-7-12(19)13(18)20/h1-2,5-6,12H,3-4,7-9H2,(H2,18,20)/t12-/m0/s1
InChIKeyWZNTXZMWBJPNDN-LBPRGKRZSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 158650976
(2S)-1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 129395291
4-[[2-(trifluoromethyl)phenyl]methyl]thiomorpholine-3-carboxylic acid
CID 82905294
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
(2S)-N-[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]-2-[(1S)-1-hydroxyethyl]-4-oxo-4-[(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]butanamide
CID 157232311

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide (CID 95146043) is (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is WZNTXZMWBJPNDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-6-2-1-5-10(11)9-19-8-4-3-7-12(19)13(18)20/h1-2,5-6,12H,3-4,7-9H2,(H2,18,20)/t12-/m0/s1.
What are the key properties of (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide?
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 95146043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).