3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid

C15H21N3O3 — CID 83017333

IUPAC3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)NN2CCCCC2)cc1
InChIInChI=1S/C15H21N3O3/c19-14(20)9-6-12-4-7-13(8-5-12)16-15(21)17-18-10-2-1-3-11-18/h4-5,7-8H,1-3,6,9-11H2,(H,19,20)(H2,16,17,21)
InChIKeyNKAVFPZIKLCXOO-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds5

About 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid

3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid (PubChem CID 83017333) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid
PubChem CID83017333
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)NN2CCCCC2)cc1
InChIInChI=1S/C15H21N3O3/c19-14(20)9-6-12-4-7-13(8-5-12)16-15(21)17-18-10-2-1-3-11-18/h4-5,7-8H,1-3,6,9-11H2,(H,19,20)(H2,16,17,21)
InChIKeyNKAVFPZIKLCXOO-UHFFFAOYSA-N
XLogP2.23
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[4-[(4,4-difluorocyclohexanecarbonyl)amino]phenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid (CID 83017333) is 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)NN2CCCCC2)cc1.
What is the InChIKey of 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is NKAVFPZIKLCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)9-6-12-4-7-13(8-5-12)16-15(21)17-18-10-2-1-3-11-18/h4-5,7-8H,1-3,6,9-11H2,(H,19,20)(H2,16,17,21).
What are the key properties of 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid?
3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 83017333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).