(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one

C17H22F3N3O — CID 129429821

IUPAC(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
SMILESO=C1[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1c1cccnc1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)12-4-1-5-13(10-12)22-15-7-3-9-23(16(15)24)14-6-2-8-21-11-14/h2,6,8,11-13,15,22H,1,3-5,7,9-10H2/t12-,13+,15-/m1/s1
InChIKeyBFCXCFUYBGZLRK-VNHYZAJKSA-N
MW341.38 g/mol
LogP3.29
Rot. Bonds3

About (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one

(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one (PubChem CID 129429821) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
PubChem CID129429821
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
SMILESO=C1[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1c1cccnc1
InChIInChI=1S/C17H22F3N3O/c18-17(19,20)12-4-1-5-13(10-12)22-15-7-3-9-23(16(15)24)14-6-2-8-21-11-14/h2,6,8,11-13,15,22H,1,3-5,7,9-10H2/t12-,13+,15-/m1/s1
InChIKeyBFCXCFUYBGZLRK-VNHYZAJKSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one with MolForge

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Related Compounds

(3S)-1-(1-methylpyrazol-4-yl)-3-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 99621152
1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 102613000
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886125
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 129447691
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
3-(cyclopropylamino)-1-[3-(dimethylamino)phenyl]piperidin-2-one
CID 115379175
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593
5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 124885543

Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one?
The IUPAC name of (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one (CID 129429821) is (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one.
What is the SMILES notation for (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one?
The canonical SMILES for (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one is O=C1[C@H](N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCN1c1cccnc1.
What is the InChIKey of (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one?
The InChIKey is BFCXCFUYBGZLRK-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H22F3N3O/c18-17(19,20)12-4-1-5-13(10-12)22-15-7-3-9-23(16(15)24)14-6-2-8-21-11-14/h2,6,8,11-13,15,22H,1,3-5,7,9-10H2/t12-,13+,15-/m1/s1.
What are the key properties of (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one?
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one has a molecular weight of 341.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one is sourced from PubChem (CID 129429821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).