3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid

C14H22N2O4 — CID 83193168

IUPAC3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)C2CCC(=O)NC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-5-4-11(8-15-12)14(20)16-7-1-2-10(9-16)3-6-13(18)19/h10-11H,1-9H2,(H,15,17)(H,18,19)
InChIKeyDXRIYBDIYRBKCK-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.62
Rot. Bonds4

About 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 83193168) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID83193168
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)C2CCC(=O)NC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-5-4-11(8-15-12)14(20)16-7-1-2-10(9-16)3-6-13(18)19/h10-11H,1-9H2,(H,15,17)(H,18,19)
InChIKeyDXRIYBDIYRBKCK-UHFFFAOYSA-N
XLogP0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-[3-(methylamino)piperidine-1-carbonyl]piperidin-2-one;hydrochloride
CID 119492394
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169
3-(6-oxopiperidin-3-yl)propanoic acid
CID 42609247
3-[(3S)-1-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124700202
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
(3R)-1-(5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 83192912
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
CID 81470340
3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701658

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid (CID 83193168) is 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)C2CCC(=O)NC2)C1.
What is the InChIKey of 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is DXRIYBDIYRBKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-5-4-11(8-15-12)14(20)16-7-1-2-10(9-16)3-6-13(18)19/h10-11H,1-9H2,(H,15,17)(H,18,19).
What are the key properties of 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83193168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).