N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N5O — CID 43603376

IUPACN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncn1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)6-19(9-1-3-15-4-2-9)10(20)5-18-8-16-7-17-18/h7-9,15H,1-6H2
InChIKeyCOGCSAQBBYFXJN-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.42
Rot. Bonds4

About N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43603376) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43603376
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cncn1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)6-19(9-1-3-15-4-2-9)10(20)5-18-8-16-7-17-18/h7-9,15H,1-6H2
InChIKeyCOGCSAQBBYFXJN-UHFFFAOYSA-N
XLogP0.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
3-pyrrolidin-1-yl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53504535
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575294
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71898049
N-(2-acetamidoethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 72043970
N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
CID 39903772
N-isopropyl-2-{[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]amino}acetamide
CID 56714239
2-(4-ethylpiperazin-1-yl)-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]acetamide
CID 91788532

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 43603376) is N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cncn1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is COGCSAQBBYFXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)6-19(9-1-3-15-4-2-9)10(20)5-18-8-16-7-17-18/h7-9,15H,1-6H2.
What are the key properties of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 291.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43603376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).