1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone

C12H17N3O — CID 16793351

IUPAC1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
SMILESNC1CCN(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C12H17N3O/c13-11-3-7-15(8-4-11)12(16)9-10-1-5-14-6-2-10/h1-2,5-6,11H,3-4,7-9,13H2
InChIKeyWUSDGXDLRFLFSZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.57
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone

1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone (PubChem CID 16793351) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
PubChem CID16793351
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
SMILESNC1CCN(C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C12H17N3O/c13-11-3-7-15(8-4-11)12(16)9-10-1-5-14-6-2-10/h1-2,5-6,11H,3-4,7-9,13H2
InChIKeyWUSDGXDLRFLFSZ-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99929054
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 43501406
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 171675893
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-2-pyridin-4-ylethanone
CID 91765635

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone (CID 16793351) is 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone is NC1CCN(C(=O)Cc2ccncc2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
The InChIKey is WUSDGXDLRFLFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-3-7-15(8-4-11)12(16)9-10-1-5-14-6-2-10/h1-2,5-6,11H,3-4,7-9,13H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone has a molecular weight of 219.29 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 16793351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).