2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

C16H23F3N4O — CID 86783988

IUPAC2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1
InChIInChI=1S/C16H23F3N4O/c1-2-21(12-3-4-12)11-15(24)22-8-5-13(6-9-22)23-10-7-14(20-23)16(17,18)19/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyZGXHBDHQFCAJTB-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.55
Rot. Bonds5

About 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 86783988) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID86783988
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1
InChIInChI=1S/C16H23F3N4O/c1-2-21(12-3-4-12)11-15(24)22-8-5-13(6-9-22)23-10-7-14(20-23)16(17,18)19/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyZGXHBDHQFCAJTB-UHFFFAOYSA-N
XLogP2.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 86783988) is 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is CCN(CC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is ZGXHBDHQFCAJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-2-21(12-3-4-12)11-15(24)22-8-5-13(6-9-22)23-10-7-14(20-23)16(17,18)19/h7,10,12-13H,2-6,8-9,11H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 344.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 86783988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).