[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

C13H18FN3O — CID 64950641

IUPAC[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCCNC1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C13H18FN3O/c1-2-16-10-4-7-17(8-5-10)13(18)11-3-6-15-9-12(11)14/h3,6,9-10,16H,2,4-5,7-8H2,1H3
InChIKeyKANGWUPFOLSPMM-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.43
Rot. Bonds3

About [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone

[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (PubChem CID 64950641) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
PubChem CID64950641
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
SMILESCCNC1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C13H18FN3O/c1-2-16-10-4-7-17(8-5-10)13(18)11-3-6-15-9-12(11)14/h3,6,9-10,16H,2,4-5,7-8H2,1H3
InChIKeyKANGWUPFOLSPMM-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)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

[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
[3-(diethylamino)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 115661606
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226
(3-fluoro-4-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115646457
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
(3-fluoro-4-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291522
(3-fluoro-4-pyridinyl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 154920114
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
[3-(chloromethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64956102
(3-fluoro-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 115646331
(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone (CID 64950641) is [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is CCNC1CCN(C(=O)c2ccncc2F)CC1.
What is the InChIKey of [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is KANGWUPFOLSPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-16-10-4-7-17(8-5-10)13(18)11-3-6-15-9-12(11)14/h3,6,9-10,16H,2,4-5,7-8H2,1H3.
What are the key properties of [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone?
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 251.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 64950641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).