(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone

C17H19N3O — CID 81310359

IUPAC(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(c3ccccc3)CC2)nc1
InChIInChI=1S/C17H19N3O/c18-15-6-7-16(19-12-15)17(21)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14H,8-11,18H2
InChIKeyOAFHKBAGEYSPGS-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.68
Rot. Bonds2

About (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone

(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 81310359) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID81310359
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(c3ccccc3)CC2)nc1
InChIInChI=1S/C17H19N3O/c18-15-6-7-16(19-12-15)17(21)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14H,8-11,18H2
InChIKeyOAFHKBAGEYSPGS-UHFFFAOYSA-N
XLogP2.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-2-pyridinyl)-(3-iodopyrrolidin-1-yl)methanone
CID 149181615
N-[1-(5-aminopyridine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 81310797
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
CID 166180817
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-cyclopropyl-2-pyridinyl)methanone;dihydrochloride
CID 120749345
(5-amino-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110854674
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
[6-(2-chlorophenyl)-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58211293
(5-amino-1-benzothiophen-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 11995149
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone (CID 81310359) is (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(c3ccccc3)CC2)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is OAFHKBAGEYSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-6-7-16(19-12-15)17(21)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14H,8-11,18H2.
What are the key properties of (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone?
(5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 81310359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).