3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid

C14H24N2O4 — CID 81140994

IUPAC3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)5-9-20-12-3-7-16(8-4-12)14(19)11-2-1-6-15-10-11/h11-12,15H,1-10H2,(H,17,18)/t11-/m1/s1
InChIKeyWBAKPQAYDMQSJG-LLVKDONJSA-N
MW284.36 g/mol
LogP0.47
Rot. Bonds5

About 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 81140994) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid
PubChem CID81140994
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(18)5-9-20-12-3-7-16(8-4-12)14(19)11-2-1-6-15-10-11/h11-12,15H,1-10H2,(H,17,18)/t11-/m1/s1
InChIKeyWBAKPQAYDMQSJG-LLVKDONJSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104855710
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
CID 119308981
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid (CID 81140994) is 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)[C@@H]2CCCNC2)CC1.
What is the InChIKey of 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is WBAKPQAYDMQSJG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(18)5-9-20-12-3-7-16(8-4-12)14(19)11-2-1-6-15-10-11/h11-12,15H,1-10H2,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 81140994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).