1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone

C12H17N3O — CID 61297761

IUPAC1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
SMILESNC1CCCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C12H17N3O/c13-11-2-1-7-15(9-11)12(16)8-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9,13H2
InChIKeyYGUIVXXNDOZBGG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.57
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone

1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone (PubChem CID 61297761) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
PubChem CID61297761
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
SMILESNC1CCCN(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C12H17N3O/c13-11-2-1-7-15(9-11)12(16)8-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9,13H2
InChIKeyYGUIVXXNDOZBGG-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-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458
2-pyridin-4-yl-1-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 154892912
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone (CID 61297761) is 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone is NC1CCCN(C(=O)Cc2ccncc2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
The InChIKey is YGUIVXXNDOZBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-2-1-7-15(9-11)12(16)8-10-3-5-14-6-4-10/h3-6,11H,1-2,7-9,13H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone?
1-(3-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-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 61297761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).