3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one

C12H25N3O — CID 60952932

IUPAC3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCN)CC1
InChIInChI=1S/C12H25N3O/c1-3-14(4-2)11-6-9-15(10-7-11)12(16)5-8-13/h11H,3-10,13H2,1-2H3
InChIKeyDJLOAUAQAGLJGQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds5

About 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one

3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one (PubChem CID 60952932) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
PubChem CID60952932
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCN)CC1
InChIInChI=1S/C12H25N3O/c1-3-14(4-2)11-6-9-15(10-7-11)12(16)5-8-13/h11H,3-10,13H2,1-2H3
InChIKeyDJLOAUAQAGLJGQ-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[4-(diethylamino)piperidin-1-yl]pentan-1-one
CID 114014883
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
3-amino-1-[4-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 121200922
1-(1-butanoylpiperidin-4-yl)-1-(4-methylcyclohexyl)urea
CID 141119386
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one (CID 60952932) is 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one is CCN(CC)C1CCN(C(=O)CCN)CC1.
What is the InChIKey of 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is DJLOAUAQAGLJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-14(4-2)11-6-9-15(10-7-11)12(16)5-8-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 60952932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).