1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid

C24H40N2O6 — CID 86346056

IUPAC1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
SMILESO=C(CCCCCCCCCCC(=O)N1CCC(C(=O)O)(C(=O)O)CC1)N1CCCCC1
InChIInChI=1S/C24H40N2O6/c27-20(25-16-10-7-11-17-25)12-8-5-3-1-2-4-6-9-13-21(28)26-18-14-24(15-19-26,22(29)30)23(31)32/h1-19H2,(H,29,30)(H,31,32)
InChIKeyQPEBJOKZDGZRTD-UHFFFAOYSA-N
MW452.59 g/mol
LogP3.68
Rot. Bonds13

About 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid

1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid (PubChem CID 86346056) has the molecular formula C24H40N2O6 and a molecular weight of 452.59 g/mol. Its IUPAC name is 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
PubChem CID86346056
Molecular FormulaC24H40N2O6
Molecular Weight452.59 g/mol
Exact Mass452.29
IUPAC Name1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
SMILESO=C(CCCCCCCCCCC(=O)N1CCC(C(=O)O)(C(=O)O)CC1)N1CCCCC1
InChIInChI=1S/C24H40N2O6/c27-20(25-16-10-7-11-17-25)12-8-5-3-1-2-4-6-9-13-21(28)26-18-14-24(15-19-26,22(29)30)23(31)32/h1-19H2,(H,29,30)(H,31,32)
InChIKeyQPEBJOKZDGZRTD-UHFFFAOYSA-N
XLogP3.68
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 112622922
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998

Frequently Asked Questions

What is the IUPAC name of 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid?
The IUPAC name of 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid (CID 86346056) is 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid.
What is the SMILES notation for 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid?
The canonical SMILES for 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid is O=C(CCCCCCCCCCC(=O)N1CCC(C(=O)O)(C(=O)O)CC1)N1CCCCC1.
What is the InChIKey of 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid?
The InChIKey is QPEBJOKZDGZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O6/c27-20(25-16-10-7-11-17-25)12-8-5-3-1-2-4-6-9-13-21(28)26-18-14-24(15-19-26,22(29)30)23(31)32/h1-19H2,(H,29,30)(H,31,32).
What are the key properties of 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid?
1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid has a molecular weight of 452.59 g/mol, XLogP of 3.68, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid is sourced from PubChem (CID 86346056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).