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

C10H18N2O4 — CID 63874882

IUPAC3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
SMILESCNC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-11-10(15)12-5-2-8(3-6-12)16-7-4-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyHIBPIVYMMZXYFT-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

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

3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63874882) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63874882
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
SMILESCNC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-11-10(15)12-5-2-8(3-6-12)16-7-4-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyHIBPIVYMMZXYFT-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085
3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63875054
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
3-[1-(but-3-yn-2-ylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 114418420
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid (CID 63874882) is 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid is CNC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is HIBPIVYMMZXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11-10(15)12-5-2-8(3-6-12)16-7-4-9(13)14/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63874882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).