3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid

C15H21N3O3 — CID 61402703

IUPAC3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)NC1CCNCC1)c1ccccc1
InChIInChI=1S/C15H21N3O3/c19-14(20)8-11-18(13-4-2-1-3-5-13)15(21)17-12-6-9-16-10-7-12/h1-5,12,16H,6-11H2,(H,17,21)(H,19,20)
InChIKeyMUKSVIWUVMZJSR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.43
Rot. Bonds5

About 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid

3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid (PubChem CID 61402703) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
PubChem CID61402703
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid
SMILESO=C(O)CCN(C(=O)NC1CCNCC1)c1ccccc1
InChIInChI=1S/C15H21N3O3/c19-14(20)8-11-18(13-4-2-1-3-5-13)15(21)17-12-6-9-16-10-7-12/h1-5,12,16H,6-11H2,(H,17,21)(H,19,20)
InChIKeyMUKSVIWUVMZJSR-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
CID 61402704
2-[N-[(4-hydroxycyclohexyl)carbamoyl]anilino]acetic acid
CID 61185084
1-(3-aminopropyl)-3-cyclohexyl-1-phenylurea
CID 16783058
1-(2-cyanoethyl)-3-cyclobutyl-1-phenylurea
CID 116654007
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
3-[N-(piperidine-3-carbonyl)anilino]propanoic acid
CID 61160684
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685

Frequently Asked Questions

What is the IUPAC name of 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid (CID 61402703) is 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid is O=C(O)CCN(C(=O)NC1CCNCC1)c1ccccc1.
What is the InChIKey of 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid?
The InChIKey is MUKSVIWUVMZJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)8-11-18(13-4-2-1-3-5-13)15(21)17-12-6-9-16-10-7-12/h1-5,12,16H,6-11H2,(H,17,21)(H,19,20).
What are the key properties of 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid?
3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(piperidin-4-ylcarbamoyl)anilino]propanoic acid is sourced from PubChem (CID 61402703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).