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

C14H25N3O4 — CID 63875586

IUPAC3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESNC1CCN(C(=O)N2CCC(OCCC(=O)O)CC2)CC1
InChIInChI=1S/C14H25N3O4/c15-11-1-6-16(7-2-11)14(20)17-8-3-12(4-9-17)21-10-5-13(18)19/h11-12H,1-10,15H2,(H,18,19)
InChIKeyCRYAINVMHWNEQL-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.49
Rot. Bonds4

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

3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63875586) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63875586
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
SMILESNC1CCN(C(=O)N2CCC(OCCC(=O)O)CC2)CC1
InChIInChI=1S/C14H25N3O4/c15-11-1-6-16(7-2-11)14(20)17-8-3-12(4-9-17)21-10-5-13(18)19/h11-12H,1-10,15H2,(H,18,19)
InChIKeyCRYAINVMHWNEQL-UHFFFAOYSA-N
XLogP0.49
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxypropanoic acid
CID 79022757
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
3-cyclopentyloxypropanoic acid
CID 24706641
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63876978
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid (CID 63875586) is 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid is NC1CCN(C(=O)N2CCC(OCCC(=O)O)CC2)CC1.
What is the InChIKey of 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is CRYAINVMHWNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c15-11-1-6-16(7-2-11)14(20)17-8-3-12(4-9-17)21-10-5-13(18)19/h11-12H,1-10,15H2,(H,18,19).
What are the key properties of 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63875586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).