1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

C15H26N2O3 — CID 63126106

IUPAC1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-5-15(14(19)20)6-9-17(10-7-15)13(18)12-4-3-8-16-11-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyLMAQWMIMXMVEOE-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds4

About 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126106) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126106
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2CCCNC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-5-15(14(19)20)6-9-17(10-7-15)13(18)12-4-3-8-16-11-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyLMAQWMIMXMVEOE-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
4-propyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125584
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134714
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
3-propyl-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 104901135
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63126106) is 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2CCCNC2)CC1.
What is the InChIKey of 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LMAQWMIMXMVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-5-15(14(19)20)6-9-17(10-7-15)13(18)12-4-3-8-16-11-12/h12,16H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).