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

C15H21N3O3 — CID 115340762

IUPAC3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)NC2CCNCC2)c1
InChIInChI=1S/C15H21N3O3/c19-14(20)5-4-11-2-1-3-13(10-11)18-15(21)17-12-6-8-16-9-7-12/h1-3,10,12,16H,4-9H2,(H,19,20)(H2,17,18,21)
InChIKeyHAWRLIHIBDXZEL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.58
Rot. Bonds5

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

3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid (PubChem CID 115340762) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
PubChem CID115340762
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)NC2CCNCC2)c1
InChIInChI=1S/C15H21N3O3/c19-14(20)5-4-11-2-1-3-13(10-11)18-15(21)17-12-6-8-16-9-7-12/h1-3,10,12,16H,4-9H2,(H,19,20)(H2,17,18,21)
InChIKeyHAWRLIHIBDXZEL-UHFFFAOYSA-N
XLogP1.58
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
3-[3-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076784
3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid
CID 120538188
3-[3-(piperazine-1-carbonylamino)phenyl]propanoic acid
CID 115340755
1-(3-nitrophenyl)-3-piperidin-4-ylurea
CID 43167665
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
3-[3-(tert-butylcarbamoylamino)phenyl]propanoic acid
CID 115339448
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid (CID 115340762) is 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)NC2CCNCC2)c1.
What is the InChIKey of 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is HAWRLIHIBDXZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)5-4-11-2-1-3-13(10-11)18-15(21)17-12-6-8-16-9-7-12/h1-3,10,12,16H,4-9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid?
3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 115340762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).