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

C12H17N3O — CID 116548123

IUPAC2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
SMILESNc1ncccc1CC(=O)C1CCCNC1
InChIInChI=1S/C12H17N3O/c13-12-9(3-2-6-15-12)7-11(16)10-4-1-5-14-8-10/h2-3,6,10,14H,1,4-5,7-8H2,(H2,13,15)
InChIKeyMPBDZIGXDKMOHR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.77
Rot. Bonds3

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

2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone (PubChem CID 116548123) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
PubChem CID116548123
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
SMILESNc1ncccc1CC(=O)C1CCCNC1
InChIInChI=1S/C12H17N3O/c13-12-9(3-2-6-15-12)7-11(16)10-4-1-5-14-8-10/h2-3,6,10,14H,1,4-5,7-8H2,(H2,13,15)
InChIKeyMPBDZIGXDKMOHR-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-3-ylethanone
CID 116548022
N-[(2-amino-3-pyridinyl)methyl]-4-piperidin-3-ylbenzamide
CID 72890769
2-(2-amino-3-pyridinyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559796
2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
1-(2-amino-3-pyridinyl)-3-(azetidin-3-yl)propan-2-one
CID 116582450
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568289
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone (CID 116548123) is 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone is Nc1ncccc1CC(=O)C1CCCNC1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone?
The InChIKey is MPBDZIGXDKMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12-9(3-2-6-15-12)7-11(16)10-4-1-5-14-8-10/h2-3,6,10,14H,1,4-5,7-8H2,(H2,13,15).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone?
2-(2-amino-3-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-3-pyridinyl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 116548123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).