1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 104913910

IUPAC1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C15H26N2O3/c1-2-7-15(14(19)20)8-5-10-17(11-15)13(18)12-6-3-4-9-16-12/h12,16H,2-11H2,1H3,(H,19,20)/t12-,15?/m0/s1
InChIKeyZCZIISGYZYKHRM-SFVWDYPZSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds4

About 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid

1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid (PubChem CID 104913910) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
PubChem CID104913910
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C15H26N2O3/c1-2-7-15(14(19)20)8-5-10-17(11-15)13(18)12-6-3-4-9-16-12/h12,16H,2-11H2,1H3,(H,19,20)/t12-,15?/m0/s1
InChIKeyZCZIISGYZYKHRM-SFVWDYPZSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
1-(azepane-2-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64570144
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
4-ethyl-1-[(2R)-piperidine-2-carbonyl]piperidine-4-carboxylic acid
CID 104913902
1-(piperidine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975985
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid (CID 104913910) is 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid?
The InChIKey is ZCZIISGYZYKHRM-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-7-15(14(19)20)8-5-10-17(11-15)13(18)12-6-3-4-9-16-12/h12,16H,2-11H2,1H3,(H,19,20)/t12-,15?/m0/s1.
What are the key properties of 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid?
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 104913910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).