3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride

C16H17ClFN3O — CID 135374583

IUPAC3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride
SMILESCl.NC1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O
InChIInChI=1S/C16H16FN3O.ClH/c17-13-5-2-1-4-12(13)11-7-8-15(19-10-11)20-9-3-6-14(18)16(20)21;/h1-2,4-5,7-8,10,14H,3,6,9,18H2;1H
InChIKeyPWICAVWXQFRBAW-UHFFFAOYSA-N
MW321.78 g/mol
LogP2.76
Rot. Bonds2

About 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride

3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride (PubChem CID 135374583) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride
PubChem CID135374583
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride
SMILESCl.NC1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O
InChIInChI=1S/C16H16FN3O.ClH/c17-13-5-2-1-4-12(13)11-7-8-15(19-10-11)20-9-3-6-14(18)16(20)21;/h1-2,4-5,7-8,10,14H,3,6,9,18H2;1H
InChIKeyPWICAVWXQFRBAW-UHFFFAOYSA-N
XLogP2.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride 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

(3S)-3-[3-(4-chlorophenyl)-2-oxopropyl]-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one
CID 152910649
tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
CID 175007211
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 141116621
(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 58585901
1-chloroethyl 4-[5-(2-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 141044300
2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate
CID 141044311
1-[5-(2-fluorophenyl)-2-pyridinyl]cyclopropan-1-amine
CID 141105175
amino-[(3S)-2-oxo-1-[5-(2-propan-2-ylphenyl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 174476325
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
CID 141044306
amino-[1-[5-(2-methylsulfonylphenyl)-2-pyridinyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 174476334
[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 74810527
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
CID 95240490

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride?
The IUPAC name of 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride (CID 135374583) is 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride is Cl.NC1CCCN(c2ccc(-c3ccccc3F)cn2)C1=O.
What is the InChIKey of 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride?
The InChIKey is PWICAVWXQFRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O.ClH/c17-13-5-2-1-4-12(13)11-7-8-15(19-10-11)20-9-3-6-14(18)16(20)21;/h1-2,4-5,7-8,10,14H,3,6,9,18H2;1H.
What are the key properties of 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride?
3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride has a molecular weight of 321.78 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(2-fluorophenyl)-2-pyridinyl]piperidin-2-one;hydrochloride is sourced from PubChem (CID 135374583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).