1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one

C20H24F3N3O2 — CID 130413543

IUPAC1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one
SMILESO=C1CCN(C2CC[C@H](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C2)CC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-9-14-12-26(8-5-18(14)24-11-15)19(28)13-1-2-16(10-13)25-6-3-17(27)4-7-25/h9,11,13,16H,1-8,10,12H2/t13-,16?/m0/s1
InChIKeyKTICXHMAJYTNTD-KNVGNIICSA-N
MW395.43 g/mol
LogP2.82
Rot. Bonds2

About 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one

1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one (PubChem CID 130413543) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one
PubChem CID130413543
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one
SMILESO=C1CCN(C2CC[C@H](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C2)CC1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)15-9-14-12-26(8-5-18(14)24-11-15)19(28)13-1-2-16(10-13)25-6-3-17(27)4-7-25/h9,11,13,16H,1-8,10,12H2/t13-,16?/m0/s1
InChIKeyKTICXHMAJYTNTD-KNVGNIICSA-N
XLogP2.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one?
The IUPAC name of 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one (CID 130413543) is 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one.
What is the SMILES notation for 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one?
The canonical SMILES for 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one is O=C1CCN(C2CC[C@H](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C2)CC1.
What is the InChIKey of 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one?
The InChIKey is KTICXHMAJYTNTD-KNVGNIICSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)15-9-14-12-26(8-5-18(14)24-11-15)19(28)13-1-2-16(10-13)25-6-3-17(27)4-7-25/h9,11,13,16H,1-8,10,12H2/t13-,16?/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one?
1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one has a molecular weight of 395.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-one is sourced from PubChem (CID 130413543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).