2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone

C12H17N3O — CID 116548022

IUPAC2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
SMILESNc1cc(CC(=O)C2CCCNC2)ccn1
InChIInChI=1S/C12H17N3O/c13-12-7-9(3-5-15-12)6-11(16)10-2-1-4-14-8-10/h3,5,7,10,14H,1-2,4,6,8H2,(H2,13,15)
InChIKeyZOMYRLFGSYPVFQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.77
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone

2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone (PubChem CID 116548022) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
PubChem CID116548022
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
SMILESNc1cc(CC(=O)C2CCCNC2)ccn1
InChIInChI=1S/C12H17N3O/c13-12-7-9(3-5-15-12)6-11(16)10-2-1-4-14-8-10/h3,5,7,10,14H,1-2,4,6,8H2,(H2,13,15)
InChIKeyZOMYRLFGSYPVFQ-UHFFFAOYSA-N
XLogP0.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
CID 116547813
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 65407228
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568289
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
2-(1-pentan-3-ylpyrazol-3-yl)-1-piperidin-3-ylethanone
CID 116548098
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone (CID 116548022) is 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone is Nc1cc(CC(=O)C2CCCNC2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone?
The InChIKey is ZOMYRLFGSYPVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12-7-9(3-5-15-12)6-11(16)10-2-1-4-14-8-10/h3,5,7,10,14H,1-2,4,6,8H2,(H2,13,15).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone?
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone has a molecular weight of 219.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116548022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).