3-[(2-aminophenyl)methylamino]piperidin-2-one

C12H17N3O — CID 66417485

IUPAC3-[(2-aminophenyl)methylamino]piperidin-2-one
SMILESNc1ccccc1CNC1CCCNC1=O
InChIInChI=1S/C12H17N3O/c13-10-5-2-1-4-9(10)8-15-11-6-3-7-14-12(11)16/h1-2,4-5,11,15H,3,6-8,13H2,(H,14,16)
InChIKeyDDYBGFKWPNESIZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.64
Rot. Bonds3

About 3-[(2-aminophenyl)methylamino]piperidin-2-one

3-[(2-aminophenyl)methylamino]piperidin-2-one (PubChem CID 66417485) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-aminophenyl)methylamino]piperidin-2-one
PubChem CID66417485
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[(2-aminophenyl)methylamino]piperidin-2-one
SMILESNc1ccccc1CNC1CCCNC1=O
InChIInChI=1S/C12H17N3O/c13-10-5-2-1-4-9(10)8-15-11-6-3-7-14-12(11)16/h1-2,4-5,11,15H,3,6-8,13H2,(H,14,16)
InChIKeyDDYBGFKWPNESIZ-UHFFFAOYSA-N
XLogP0.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethylphenyl)methylamino]piperidin-2-one
CID 62392646
3-[(2,3-dichlorophenyl)methylamino]piperidin-2-one
CID 62094465
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-(quinolin-8-ylmethylamino)piperidin-2-one
CID 55033199
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
CID 107235592
3-[(2-fluoro-3-methoxyphenyl)methylamino]piperidin-2-one
CID 104791742
3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one
CID 11371753
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-2-one
CID 113356898

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2-aminophenyl)methylamino]piperidin-2-one (CID 66417485) is 3-[(2-aminophenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2-aminophenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2-aminophenyl)methylamino]piperidin-2-one is Nc1ccccc1CNC1CCCNC1=O.
What is the InChIKey of 3-[(2-aminophenyl)methylamino]piperidin-2-one?
The InChIKey is DDYBGFKWPNESIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-5-2-1-4-9(10)8-15-11-6-3-7-14-12(11)16/h1-2,4-5,11,15H,3,6-8,13H2,(H,14,16).
What are the key properties of 3-[(2-aminophenyl)methylamino]piperidin-2-one?
3-[(2-aminophenyl)methylamino]piperidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 66417485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).