3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C14H18F3N3O — CID 62536564

IUPAC3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCNC1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3N3O/c1-18-12-6-3-7-20(9-12)13(21)19-11-5-2-4-10(8-11)14(15,16)17/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H,19,21)
InChIKeyFXVIDPBOTGKUGK-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.92
Rot. Bonds2

About 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 62536564) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID62536564
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCNC1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3N3O/c1-18-12-6-3-7-20(9-12)13(21)19-11-5-2-4-10(8-11)14(15,16)17/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H,19,21)
InChIKeyFXVIDPBOTGKUGK-UHFFFAOYSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
3-(1,3-benzodioxol-5-ylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 45232169
N-[1-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperidin-3-yl]acetamide
CID 134118268
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
1-[[3-(1,1-difluoroethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090866
1-[3-(methylamino)piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]butan-1-one
CID 119491462
tert-butyl 3-[3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 51064077
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 62536564) is 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CNC1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is FXVIDPBOTGKUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-18-12-6-3-7-20(9-12)13(21)19-11-5-2-4-10(8-11)14(15,16)17/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H,19,21).
What are the key properties of 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 62536564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).