1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid

C20H24N2O6 — CID 3238578

IUPAC1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C20H24N2O6/c23-17(21-9-5-13(6-10-21)19(25)26)15-3-1-2-4-16(15)18(24)22-11-7-14(8-12-22)20(27)28/h1-4,13-14H,5-12H2,(H,25,26)(H,27,28)
InChIKeyUBDKQLYHOMZDHB-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.56
Rot. Bonds4

About 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid

1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 3238578) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid
PubChem CID3238578
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C20H24N2O6/c23-17(21-9-5-13(6-10-21)19(25)26)15-3-1-2-4-16(15)18(24)22-11-7-14(8-12-22)20(27)28/h1-4,13-14H,5-12H2,(H,25,26)(H,27,28)
InChIKeyUBDKQLYHOMZDHB-UHFFFAOYSA-N
XLogP1.56
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N',N'-Tetraethylphthalamide
CID 66526
4-Phthalimidobutyric acid
CID 18411
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
1-Benzoylpiperidine-4-carboxylic acid
CID 78935
6-[(4-Benzyl-1-piperazinyl)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 2912153
1-(naphthalene-1-carbonyl)piperidine-4-carboxylic Acid
CID 7131654
(4-Cyclohex-3-enylmethyl-piperazin-1-yl)-phenyl-methanone
CID 647296
Ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307
1-(2-Methylbenzoyl)piperidine-4-carboxylic acid
CID 754891
2-Phenyl-1-(2-(piperidinocarbonyl)phenyl)-1-ethanone
CID 670679
1-[2-(2-Phenylethyl)benzoyl]-4-piperidinecarboxamide
CID 2231676
1-(4-Fluorobenzoyl)piperidine-4-carboxylic acid
CID 778075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid (CID 3238578) is 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccccc2C(=O)N2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is UBDKQLYHOMZDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c23-17(21-9-5-13(6-10-21)19(25)26)15-3-1-2-4-16(15)18(24)22-11-7-14(8-12-22)20(27)28/h1-4,13-14H,5-12H2,(H,25,26)(H,27,28).
What are the key properties of 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid?
1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-carboxypiperidine-1-carbonyl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3238578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).