3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid

C12H22N2O3 — CID 55135166

IUPAC3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESCCCNC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-7-13-12(17)14-8-3-4-10(9-14)5-6-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyFIYZRNSWYCYUMN-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds5

About 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid

3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid (PubChem CID 55135166) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
PubChem CID55135166
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
SMILESCCCNC(=O)N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-2-7-13-12(17)14-8-3-4-10(9-14)5-6-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyFIYZRNSWYCYUMN-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-methylbut-2-enylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106191160
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
3-[1-(hexan-2-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62199708
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
3-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 63959654
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
3-[1-[(2-methylcyclopropyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 55071819
3-[1-(hex-1-yn-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 106232462
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
CID 63294450
3-[1-(4-methylsulfanylbutylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 113488067
3-[1-(2-propan-2-yloxyethylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 104763771

Frequently Asked Questions

What is the IUPAC name of 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid (CID 55135166) is 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid is CCCNC(=O)N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid?
The InChIKey is FIYZRNSWYCYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-7-13-12(17)14-8-3-4-10(9-14)5-6-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid?
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 55135166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).