5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid

C15H28N2O3 — CID 60951540

IUPAC5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCCN(CC)CC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-16(4-2)12-13-8-10-17(11-9-13)14(18)6-5-7-15(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyKCELZKPPLKIVPY-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds8

About 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid

5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 60951540) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID60951540
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
SMILESCCN(CC)CC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-3-16(4-2)12-13-8-10-17(11-9-13)14(18)6-5-7-15(19)20/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyKCELZKPPLKIVPY-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-[4-(diethylaminomethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79279608
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methylamino)butan-1-one
CID 54874514
4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119896806

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid (CID 60951540) is 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid is CCN(CC)CC1CCN(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is KCELZKPPLKIVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-16(4-2)12-13-8-10-17(11-9-13)14(18)6-5-7-15(19)20/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid?
5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 60951540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).