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

C17H25FN2O — CID 114506968

IUPAC[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCCNC1CCN(C(=O)c2ccc(F)cc2)CC1CC
InChIInChI=1S/C17H25FN2O/c1-3-10-19-16-9-11-20(12-13(16)4-2)17(21)14-5-7-15(18)8-6-14/h5-8,13,16,19H,3-4,9-12H2,1-2H3
InChIKeySOVPMPBFZFLUGC-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.07
Rot. Bonds5

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

[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 114506968) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID114506968
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESCCCNC1CCN(C(=O)c2ccc(F)cc2)CC1CC
InChIInChI=1S/C17H25FN2O/c1-3-10-19-16-9-11-20(12-13(16)4-2)17(21)14-5-7-15(18)8-6-14/h5-8,13,16,19H,3-4,9-12H2,1-2H3
InChIKeySOVPMPBFZFLUGC-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 114506764
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 114506842
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
N-cyclopropyl-2-[3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 73139183
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 114506772
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510164
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 114507042
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 114506968) is [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone is CCCNC1CCN(C(=O)c2ccc(F)cc2)CC1CC.
What is the InChIKey of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is SOVPMPBFZFLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-10-19-16-9-11-20(12-13(16)4-2)17(21)14-5-7-15(18)8-6-14/h5-8,13,16,19H,3-4,9-12H2,1-2H3.
What are the key properties of [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 292.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 114506968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).