(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone

C21H31FN2O — CID 42150617

IUPAC(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCCN1CCC(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H31FN2O/c1-2-23-13-10-19(11-14-23)21(25)24-12-4-6-18(16-24)9-8-17-5-3-7-20(22)15-17/h3,5,7,15,18-19H,2,4,6,8-14,16H2,1H3/t18-/m1/s1
InChIKeyMYNBUZHCXBBVQM-GOSISDBHSA-N
MW346.49 g/mol
LogP3.73
Rot. Bonds5

About (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone

(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 42150617) has the molecular formula C21H31FN2O and a molecular weight of 346.49 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID42150617
Molecular FormulaC21H31FN2O
Molecular Weight346.49 g/mol
Exact Mass346.24
IUPAC Name(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCCN1CCC(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H31FN2O/c1-2-23-13-10-19(11-14-23)21(25)24-12-4-6-18(16-24)9-8-17-5-3-7-20(22)15-17/h3,5,7,15,18-19H,2,4,6,8-14,16H2,1H3/t18-/m1/s1
InChIKeyMYNBUZHCXBBVQM-GOSISDBHSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 26401825
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 25298064
1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 95200233
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 56743313
N-[2-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 25485498
4,4,4-trifluoro-1-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]butan-1-one
CID 95129018
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 42459967
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45188597
1-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45196713
(2,6-dimethylpyrimidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 42245768

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 42150617) is (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone is CCN1CCC(C(=O)N2CCC[C@H](CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is MYNBUZHCXBBVQM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31FN2O/c1-2-23-13-10-19(11-14-23)21(25)24-12-4-6-18(16-24)9-8-17-5-3-7-20(22)15-17/h3,5,7,15,18-19H,2,4,6,8-14,16H2,1H3/t18-/m1/s1.
What are the key properties of (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 346.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42150617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).