2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone

C12H17N3O — CID 82127506

IUPAC2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESNCC(=O)N1CCC(c2cccnc2)CC1
InChIInChI=1S/C12H17N3O/c13-8-12(16)15-6-3-10(4-7-15)11-2-1-5-14-9-11/h1-2,5,9-10H,3-4,6-8,13H2
InChIKeyDSEZBCGWOJKDOK-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds2

About 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone

2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone (PubChem CID 82127506) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
PubChem CID82127506
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESNCC(=O)N1CCC(c2cccnc2)CC1
InChIInChI=1S/C12H17N3O/c13-8-12(16)15-6-3-10(4-7-15)11-2-1-5-14-9-11/h1-2,5,9-10H,3-4,6-8,13H2
InChIKeyDSEZBCGWOJKDOK-UHFFFAOYSA-N
XLogP0.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
2-(4-pyridin-3-ylpiperidin-1-yl)ethanol
CID 150777844
amino-(4-pyridin-3-ylpiperidin-1-yl)methanol
CID 145342112
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
1-(aminomethyl)-4-pyridin-3-ylcyclohexan-1-ol
CID 82283334
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
CID 174853959
2-[4-(3-pyridin-3-ylazetidine-1-carbonyl)piperidin-1-yl]acetamide
CID 70762081
3-pyridin-3-yl-1-(4-pyrimidin-4-ylpiperidin-1-yl)propan-1-one
CID 118778975

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone (CID 82127506) is 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone is NCC(=O)N1CCC(c2cccnc2)CC1.
What is the InChIKey of 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is DSEZBCGWOJKDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-8-12(16)15-6-3-10(4-7-15)11-2-1-5-14-9-11/h1-2,5,9-10H,3-4,6-8,13H2.
What are the key properties of 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone?
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 219.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82127506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).