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

C15H26N2O3 — CID 83055984

IUPAC(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1CCCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-2-6-13-8-3-4-10-17(13)15(20)16-9-5-7-12(11-16)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyJOYMLMWFNXHYNV-UEWDXFNNSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds3

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

(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 83055984) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID83055984
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCCC1CCCCN1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-2-6-13-8-3-4-10-17(13)15(20)16-9-5-7-12(11-16)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)/t12-,13?/m0/s1
InChIKeyJOYMLMWFNXHYNV-UEWDXFNNSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 113418347
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
2-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 83053442
2-[3-methyl-1-(2-propylpiperidine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102659090

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid (CID 83055984) is (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is CCCC1CCCCN1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JOYMLMWFNXHYNV-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-6-13-8-3-4-10-17(13)15(20)16-9-5-7-12(11-16)14(18)19/h12-13H,2-11H2,1H3,(H,18,19)/t12-,13?/m0/s1.
What are the key properties of (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83055984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).