3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C13H18F3N5O — CID 84596255

IUPAC3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC(c2nncn2C2CC2)C1
InChIInChI=1S/C13H18F3N5O/c14-13(15,16)7-17-12(22)20-5-1-2-9(6-20)11-19-18-8-21(11)10-3-4-10/h8-10H,1-7H2,(H,17,22)
InChIKeyGTLHSIAMSZPWHQ-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.06
Rot. Bonds3

About 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 84596255) has the molecular formula C13H18F3N5O and a molecular weight of 317.32 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID84596255
Molecular FormulaC13H18F3N5O
Molecular Weight317.32 g/mol
Exact Mass317.15
IUPAC Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC(c2nncn2C2CC2)C1
InChIInChI=1S/C13H18F3N5O/c14-13(15,16)7-17-12(22)20-5-1-2-9(6-20)11-19-18-8-21(11)10-3-4-10/h8-10H,1-7H2,(H,17,22)
InChIKeyGTLHSIAMSZPWHQ-UHFFFAOYSA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45236235
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 75440447
4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83279224
N-Cyclopentyl-4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91908948
N~1~-cyclohexyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 87052208
N~1~-Cyclopentyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]tetrahydro-1(2H)-pyridinecarboxamide
CID 87052209
N-Cyclohexyl-4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91908947
N-Cyclopentyl-3-[(4-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine-1-carboxamide
CID 110203887
(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 164633315
(3R)-N-cyclopentyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 164635592

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 84596255) is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCC(c2nncn2C2CC2)C1.
What is the InChIKey of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is GTLHSIAMSZPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O/c14-13(15,16)7-17-12(22)20-5-1-2-9(6-20)11-19-18-8-21(11)10-3-4-10/h8-10H,1-7H2,(H,17,22).
What are the key properties of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84596255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).