3-(dodecylamino)piperidin-2-one

C17H34N2O — CID 63492267

IUPAC3-(dodecylamino)piperidin-2-one
SMILESCCCCCCCCCCCCNC1CCCNC1=O
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-14-18-16-13-12-15-19-17(16)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyRJYIWVFWYNXWKV-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.78
Rot. Bonds12

About 3-(dodecylamino)piperidin-2-one

3-(dodecylamino)piperidin-2-one (PubChem CID 63492267) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-(dodecylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(dodecylamino)piperidin-2-one
PubChem CID63492267
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-(dodecylamino)piperidin-2-one
SMILESCCCCCCCCCCCCNC1CCCNC1=O
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-14-18-16-13-12-15-19-17(16)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyRJYIWVFWYNXWKV-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(pentylamino)piperidin-2-one
CID 62093756
3-(pentylamino)pyrrolidin-2-one
CID 68641517
3-(3-methylsulfonylpropylamino)piperidin-2-one
CID 63191547
3-(3-ethoxypropylamino)azepan-2-one
CID 43199290
1-decyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 11392789
3-(undecan-6-ylamino)piperidin-2-one
CID 55033580
N'-hydroxy-5-[(2-oxopiperidin-3-yl)amino]pentanimidamide
CID 77030093
3-(hexan-2-ylamino)piperidin-2-one
CID 62094120
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
3-(3,3,3-trifluoropropylamino)piperidin-2-one
CID 64554624
3-(pent-4-ynylamino)azepan-2-one
CID 103711250
(3S)-3-amino-N-decyl-2-oxoazepane-4-carboxamide
CID 154298627

Frequently Asked Questions

What is the IUPAC name of 3-(dodecylamino)piperidin-2-one?
The IUPAC name of 3-(dodecylamino)piperidin-2-one (CID 63492267) is 3-(dodecylamino)piperidin-2-one.
What is the SMILES notation for 3-(dodecylamino)piperidin-2-one?
The canonical SMILES for 3-(dodecylamino)piperidin-2-one is CCCCCCCCCCCCNC1CCCNC1=O.
What is the InChIKey of 3-(dodecylamino)piperidin-2-one?
The InChIKey is RJYIWVFWYNXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-14-18-16-13-12-15-19-17(16)20/h16,18H,2-15H2,1H3,(H,19,20).
What are the key properties of 3-(dodecylamino)piperidin-2-one?
3-(dodecylamino)piperidin-2-one has a molecular weight of 282.47 g/mol, XLogP of 3.78, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecylamino)piperidin-2-one is sourced from PubChem (CID 63492267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).