1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one

C15H31N3O — CID 62837981

IUPAC1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C15H31N3O/c1-5-16-13(4)12-15(19)18-10-8-14(9-11-18)17(6-2)7-3/h13-14,16H,5-12H2,1-4H3
InChIKeyOUEQVYNPOFVGMG-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.71
Rot. Bonds7

About 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one

1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one (PubChem CID 62837981) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
PubChem CID62837981
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C15H31N3O/c1-5-16-13(4)12-15(19)18-10-8-14(9-11-18)17(6-2)7-3/h13-14,16H,5-12H2,1-4H3
InChIKeyOUEQVYNPOFVGMG-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
3-(ethylamino)-1-[4-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 63978426
3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
CID 55121642
1-[4-(diethylamino)piperidin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287587
3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
CID 62837418
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
N-ethyl-2-[4-[3-(ethylamino)butanoyl]piperazin-1-yl]acetamide
CID 62837069
3-(ethylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62838357
3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 62837626
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one?
The IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one (CID 62837981) is 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one.
What is the SMILES notation for 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one?
The canonical SMILES for 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one is CCNC(C)CC(=O)N1CCC(N(CC)CC)CC1.
What is the InChIKey of 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one?
The InChIKey is OUEQVYNPOFVGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-16-13(4)12-15(19)18-10-8-14(9-11-18)17(6-2)7-3/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one?
1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one is sourced from PubChem (CID 62837981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).