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

C12H18F3N5O — CID 71988715

IUPAC1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CCn2cncn2)C1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)7-17-11(21)10-2-1-3-19(6-10)4-5-20-9-16-8-18-20/h8-10H,1-7H2,(H,17,21)
InChIKeyQXMXDBMDKABSFP-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.67
Rot. Bonds5

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

1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71988715) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71988715
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CCn2cncn2)C1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)7-17-11(21)10-2-1-3-19(6-10)4-5-20-9-16-8-18-20/h8-10H,1-7H2,(H,17,21)
InChIKeyQXMXDBMDKABSFP-UHFFFAOYSA-N
XLogP0.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
1-cyclopentyl-N-[3-(4H-1,2,4-triazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72883541
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
(2R,3R)-2-methyl-N-[3,3,3-trifluoro-2-(1H-1,2,4-triazol-1-yl)propyl]piperidine-3-carboxamide
CID 132363988
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603376
N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603378
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603380
3-(1,2,4-Triazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 51075636
2-(3-Amino-1,2,4-triazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 61102385
1-[3-(1H-1,2,4-triazol-1-yl)piperidin-1-yl]-3-[(2,2,2-trifluoroethyl)amino]propan-1-one
CID 72141965
3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 75448673
3-(1,2,4-triazol-1-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 94175725

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71988715) is 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(CCn2cncn2)C1.
What is the InChIKey of 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is QXMXDBMDKABSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)7-17-11(21)10-2-1-3-19(6-10)4-5-20-9-16-8-18-20/h8-10H,1-7H2,(H,17,21).
What are the key properties of 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71988715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).