1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone

C20H29FN2O2 — CID 155992946

IUPAC1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C2CCN(C(C)=O)CC2)CC[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-15(24)22-11-8-19(9-12-22)23-10-7-17(20(14-23)25-2)13-16-3-5-18(21)6-4-16/h3-6,17,19-20H,7-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyLTJHIVXKBBHFPI-XLIONFOSSA-N
MW348.46 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 155992946) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID155992946
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
SMILESCO[C@H]1CN(C2CCN(C(C)=O)CC2)CC[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C20H29FN2O2/c1-15(24)22-11-8-19(9-12-22)23-10-7-17(20(14-23)25-2)13-16-3-5-18(21)6-4-16/h3-6,17,19-20H,7-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyLTJHIVXKBBHFPI-XLIONFOSSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 137177069
1-[4-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95553032
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxy-1-piperidin-4-ylpiperidine
CID 70898972
[4-[(3S,4R)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 129118147
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 155939923
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185
tert-butyl 4-[(3S,4R)-3-methoxy-4-(methylsulfonylmethyl)piperidin-1-yl]piperidine-1-carboxylate
CID 146985227
3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine
CID 84734360
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
CID 56917298
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone (CID 155992946) is 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone is CO[C@H]1CN(C2CCN(C(C)=O)CC2)CC[C@@H]1Cc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is LTJHIVXKBBHFPI-XLIONFOSSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-15(24)22-11-8-19(9-12-22)23-10-7-17(20(14-23)25-2)13-16-3-5-18(21)6-4-16/h3-6,17,19-20H,7-14H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 348.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155992946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).