(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

C18H20FN3O — CID 70706949

IUPAC(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C18H20FN3O/c19-16-4-1-13(2-5-16)11-14-7-9-22(10-8-14)18(23)15-3-6-17(20)21-12-15/h1-6,12,14H,7-11H2,(H2,20,21)
InChIKeyLVEOBCBFJZJSBS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.90
Rot. Bonds3

About (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 70706949) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID70706949
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESNc1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C18H20FN3O/c19-16-4-1-13(2-5-16)11-14-7-9-22(10-8-14)18(23)15-3-6-17(20)21-12-15/h1-6,12,14H,7-11H2,(H2,20,21)
InChIKeyLVEOBCBFJZJSBS-UHFFFAOYSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]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

(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
(6-amino-3-pyridinyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70772604
(4-fluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)piperidin-1-yl]methanone
CID 124985689
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70786561
(3,5-difluorophenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102830
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-amino-3-pyridinyl)methanone
CID 55037357
2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetic acid
CID 10309796

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 70706949) is (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is Nc1ccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is LVEOBCBFJZJSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-4-1-13(2-5-16)11-14-7-9-22(10-8-14)18(23)15-3-6-17(20)21-12-15/h1-6,12,14H,7-11H2,(H2,20,21).
What are the key properties of (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 313.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70706949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).