1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone

C25H29FN4O3 — CID 42868116

IUPAC1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H29FN4O3/c1-17-3-8-22(25(33)30-15-13-28(14-16-30)18(2)31)23(27-17)19-9-11-29(12-10-19)24(32)20-4-6-21(26)7-5-20/h3-8,19H,9-16H2,1-2H3
InChIKeyWCQCCTBSDSMFJD-UHFFFAOYSA-N
MW452.53 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42868116) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID42868116
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Name1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H29FN4O3/c1-17-3-8-22(25(33)30-15-13-28(14-16-30)18(2)31)23(27-17)19-9-11-29(12-10-19)24(32)20-4-6-21(26)7-5-20/h3-8,19H,9-16H2,1-2H3
InChIKeyWCQCCTBSDSMFJD-UHFFFAOYSA-N
XLogP2.85
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[4-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 42868099
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
1-[4-[2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42867222
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
N-(3,4-dimethylphenyl)-2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42868039
(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]-(4-nitrophenyl)methanone
CID 42852080
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
[(3S,4S)-3-cyclopentyl-4-hydroxypiperidin-1-yl]-(2-cyclopropyl-6-methyl-3-pyridinyl)methanone
CID 164629456
[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46068543
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone (CID 42868116) is 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is WCQCCTBSDSMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-17-3-8-22(25(33)30-15-13-28(14-16-30)18(2)31)23(27-17)19-9-11-29(12-10-19)24(32)20-4-6-21(26)7-5-20/h3-8,19H,9-16H2,1-2H3.
What are the key properties of 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 452.53 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42868116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).