N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C12H18F3N5O — CID 51084737

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N5O/c1-2-19-8-17-18-10(19)6-16-11(21)20-5-3-4-9(7-20)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyGJIZFQKJWTXNIE-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 51084737) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID51084737
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H18F3N5O/c1-2-19-8-17-18-10(19)6-16-11(21)20-5-3-4-9(7-20)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,21)
InChIKeyGJIZFQKJWTXNIE-UHFFFAOYSA-N
XLogP1.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 106303214
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
2-cyclopropyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]propanoic acid
CID 106303825
(3S)-1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81125435
(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126439178
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132971346
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 106302127
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 51084737) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is GJIZFQKJWTXNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-2-19-8-17-18-10(19)6-16-11(21)20-5-3-4-9(7-20)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,21).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 51084737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).