1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone

C20H29FN2O — CID 95553032

IUPAC1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H29FN2O/c1-16(24)22-13-10-20(11-14-22)23-12-2-3-18(15-23)5-4-17-6-8-19(21)9-7-17/h6-9,18,20H,2-5,10-15H2,1H3/t18-/m0/s1
InChIKeyBKQGCFURQWOKGV-SFHVURJKSA-N
MW332.46 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 95553032) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID95553032
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H29FN2O/c1-16(24)22-13-10-20(11-14-22)23-12-2-3-18(15-23)5-4-17-6-8-19(21)9-7-17/h6-9,18,20H,2-5,10-15H2,1H3/t18-/m0/s1
InChIKeyBKQGCFURQWOKGV-SFHVURJKSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cyclopropyl-[4-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543541
cyclopropyl-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methanone
CID 95543540
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
CID 56917298
2-(dimethylamino)-1-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone
CID 95549011
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
3-[[4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]methyl]pyridine
CID 56880067
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56872964
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871
1-[5-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56877097
1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
CID 155992946

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone (CID 95553032) is 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BKQGCFURQWOKGV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-16(24)22-13-10-20(11-14-22)23-12-2-3-18(15-23)5-4-17-6-8-19(21)9-7-17/h6-9,18,20H,2-5,10-15H2,1H3/t18-/m0/s1.
What are the key properties of 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 332.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95553032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).