2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

C26H30FN3O4 — CID 58073200

IUPAC2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCNC[C@H]4F)cn3)CC2)cc1
InChIInChI=1S/C26H30FN3O4/c1-34-21-5-2-17(3-6-21)25(32)18-9-12-30(13-10-18)26(33)23-7-4-20(15-29-23)24(31)14-19-8-11-28-16-22(19)27/h2-7,15,18-19,22,28H,8-14,16H2,1H3/t19?,22-/m1/s1
InChIKeyGRTPAALXWVJOQJ-AVKWCDSFSA-N
MW467.54 g/mol
LogP3.35
Rot. Bonds7

About 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone

2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (PubChem CID 58073200) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
PubChem CID58073200
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCNC[C@H]4F)cn3)CC2)cc1
InChIInChI=1S/C26H30FN3O4/c1-34-21-5-2-17(3-6-21)25(32)18-9-12-30(13-10-18)26(33)23-7-4-20(15-29-23)24(31)14-19-8-11-28-16-22(19)27/h2-7,15,18-19,22,28H,8-14,16H2,1H3/t19?,22-/m1/s1
InChIKeyGRTPAALXWVJOQJ-AVKWCDSFSA-N
XLogP3.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

tert-butyl (3S)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
CID 58073237
tert-butyl (3R)-4-amino-3-fluoropiperidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidine-1-carboxylate
CID 162012762
3-[[(3R)-3-fluoro-4-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 158124699
2-[(3S)-3-fluoro-1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073404
N-(3-fluoropiperidin-4-yl)-6-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethenyl]pyridine-3-carboxamide
CID 77407419
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1-[6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073222
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
2-[6-(4-fluorophenyl)sulfonyl-3-pyridinyl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073326
N-[(3R,4R)-4-[(4-cyanophenyl)methyl]-3-fluoropiperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 66713813
2-[(3R,5S)-3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 161466612
4-[[5-[2-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-oxoethyl]-2-pyridinyl]oxy]benzonitrile
CID 58073183
2-[4-(3,5-difluorophenoxy)cyclohexyl]-1-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073553

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone (CID 58073200) is 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)CC4CCNC[C@H]4F)cn3)CC2)cc1.
What is the InChIKey of 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
The InChIKey is GRTPAALXWVJOQJ-AVKWCDSFSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-34-21-5-2-17(3-6-21)25(32)18-9-12-30(13-10-18)26(33)23-7-4-20(15-29-23)24(31)14-19-8-11-28-16-22(19)27/h2-7,15,18-19,22,28H,8-14,16H2,1H3/t19?,22-/m1/s1.
What are the key properties of 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone?
2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone has a molecular weight of 467.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-fluoropiperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 58073200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).