3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid

C15H26N2O3 — CID 103870702

IUPAC3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C15H26N2O3/c1-11(9-14(18)19)12-5-4-8-17(10-12)15(20)13-6-2-3-7-16-13/h11-13,16H,2-10H2,1H3,(H,18,19)/t11?,12?,13-/m0/s1
InChIKeyOFWAZKHSOWGZQX-BPCQOVAHSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds4

About 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid

3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid (PubChem CID 103870702) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
PubChem CID103870702
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C15H26N2O3/c1-11(9-14(18)19)12-5-4-8-17(10-12)15(20)13-6-2-3-7-16-13/h11-13,16H,2-10H2,1H3,(H,18,19)/t11?,12?,13-/m0/s1
InChIKeyOFWAZKHSOWGZQX-BPCQOVAHSA-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

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
CID 107437161
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104914841
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
[3-(2-methylpropyl)piperidin-1-yl]-piperidin-2-ylmethanone
CID 119337354
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]butanoic acid
CID 104855870
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(1,1-dioxothiolane-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81042258
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid (CID 103870702) is 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid?
The InChIKey is OFWAZKHSOWGZQX-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(9-14(18)19)12-5-4-8-17(10-12)15(20)13-6-2-3-7-16-13/h11-13,16H,2-10H2,1H3,(H,18,19)/t11?,12?,13-/m0/s1.
What are the key properties of 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid?
3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic 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 3-[1-[(2S)-piperidine-2-carbonyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 103870702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).