[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone

C16H23FN2O — CID 114506764

IUPAC[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCCNC1CCN(C(=O)c2cccc(F)c2)CC1CC
InChIInChI=1S/C16H23FN2O/c1-3-12-11-19(9-8-15(12)18-4-2)16(20)13-6-5-7-14(17)10-13/h5-7,10,12,15,18H,3-4,8-9,11H2,1-2H3
InChIKeyRQCVLJCNNHIZFD-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.68
Rot. Bonds4

About [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 114506764) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID114506764
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESCCNC1CCN(C(=O)c2cccc(F)c2)CC1CC
InChIInChI=1S/C16H23FN2O/c1-3-12-11-19(9-8-15(12)18-4-2)16(20)13-6-5-7-14(17)10-13/h5-7,10,12,15,18H,3-4,8-9,11H2,1-2H3
InChIKeyRQCVLJCNNHIZFD-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(2,5-dihydroxyphenyl)-[3-ethyl-4-(ethylamino)piperidin-1-yl]methanone
CID 107721232
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 114506772
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
(2,6-difluorophenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506517
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone (CID 114506764) is [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone is CCNC1CCN(C(=O)c2cccc(F)c2)CC1CC.
What is the InChIKey of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is RQCVLJCNNHIZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-12-11-19(9-8-15(12)18-4-2)16(20)13-6-5-7-14(17)10-13/h5-7,10,12,15,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone?
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 278.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 114506764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).