1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone

C18H21N3O — CID 141043533

IUPAC1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESNC1CCCN(C(=O)Cc2ccccn2)C1c1ccccc1
InChIInChI=1S/C18H21N3O/c19-16-10-6-12-21(18(16)14-7-2-1-3-8-14)17(22)13-15-9-4-5-11-20-15/h1-5,7-9,11,16,18H,6,10,12-13,19H2
InChIKeyAXFJOCOUGNORIJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone

1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 141043533) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
PubChem CID141043533
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESNC1CCCN(C(=O)Cc2ccccn2)C1c1ccccc1
InChIInChI=1S/C18H21N3O/c19-16-10-6-12-21(18(16)14-7-2-1-3-8-14)17(22)13-15-9-4-5-11-20-15/h1-5,7-9,11,16,18H,6,10,12-13,19H2
InChIKeyAXFJOCOUGNORIJ-UHFFFAOYSA-N
XLogP2.32
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-[(2S)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 125167186
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
1-[2-[3-(benzylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110264641
1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 56713732
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone (CID 141043533) is 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone is NC1CCCN(C(=O)Cc2ccccn2)C1c1ccccc1.
What is the InChIKey of 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is AXFJOCOUGNORIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-16-10-6-12-21(18(16)14-7-2-1-3-8-14)17(22)13-15-9-4-5-11-20-15/h1-5,7-9,11,16,18H,6,10,12-13,19H2.
What are the key properties of 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone?
1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 295.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-phenylpiperidin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 141043533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).