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

C18H23F3N4O3 — CID 75473610

IUPAC3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCOc1ncccc1C(=O)N1CCN(C2CCCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H23F3N4O3/c1-28-15-13(4-2-6-22-15)16(26)24-10-8-23(9-11-24)14-5-3-7-25(17(14)27)12-18(19,20)21/h2,4,6,14H,3,5,7-12H2,1H3
InChIKeyURPIKHOFJYIBPZ-UHFFFAOYSA-N
MW400.40 g/mol
LogP1.40
Rot. Bonds4

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

3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 75473610) has the molecular formula C18H23F3N4O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID75473610
Molecular FormulaC18H23F3N4O3
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC Name3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCOc1ncccc1C(=O)N1CCN(C2CCCN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H23F3N4O3/c1-28-15-13(4-2-6-22-15)16(26)24-10-8-23(9-11-24)14-5-3-7-25(17(14)27)12-18(19,20)21/h2,4,6,14H,3,5,7-12H2,1H3
InChIKeyURPIKHOFJYIBPZ-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97342812
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
2-[3-[4-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]piperazine-1-carbonyl]phenyl]acetonitrile
CID 75473611
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95325642

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 75473610) is 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is COc1ncccc1C(=O)N1CCN(C2CCCN(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is URPIKHOFJYIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3/c1-28-15-13(4-2-6-22-15)16(26)24-10-8-23(9-11-24)14-5-3-7-25(17(14)27)12-18(19,20)21/h2,4,6,14H,3,5,7-12H2,1H3.
What are the key properties of 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 400.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 75473610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).