(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one

C18H23F3N4O2 — CID 97342812

IUPAC(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCc1ncccc1C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H23F3N4O2/c1-13-14(4-2-6-22-13)16(26)24-10-8-23(9-11-24)15-5-3-7-25(17(15)27)12-18(19,20)21/h2,4,6,15H,3,5,7-12H2,1H3/t15-/m0/s1
InChIKeyGDMDSRJKAWBNNE-HNNXBMFYSA-N
MW384.40 g/mol
LogP1.70
Rot. Bonds3

About (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one

(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 97342812) has the molecular formula C18H23F3N4O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID97342812
Molecular FormulaC18H23F3N4O2
Molecular Weight384.40 g/mol
Exact Mass384.18
IUPAC Name(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCc1ncccc1C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H23F3N4O2/c1-13-14(4-2-6-22-13)16(26)24-10-8-23(9-11-24)15-5-3-7-25(17(15)27)12-18(19,20)21/h2,4,6,15H,3,5,7-12H2,1H3/t15-/m0/s1
InChIKeyGDMDSRJKAWBNNE-HNNXBMFYSA-N
XLogP1.70
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one with MolForge

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Related Compounds

3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75473610
1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
CID 75473623
3-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75473604
3-(4-methylsulfonylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75469540
2,2-dimethyl-N-[2-oxo-2-[4-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 97342815
tert-butyl (3S)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 97309183
[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45249229
(3R)-1-[(4-fluorophenyl)methyl]-3-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 95112755
[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378
4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
(3R)-3-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97342786
(2-methyl-3-pyridinyl)-[(3S)-3-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 59161359

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 97342812) is (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is Cc1ncccc1C(=O)N1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is GDMDSRJKAWBNNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23F3N4O2/c1-13-14(4-2-6-22-13)16(26)24-10-8-23(9-11-24)15-5-3-7-25(17(15)27)12-18(19,20)21/h2,4,6,15H,3,5,7-12H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 97342812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).