3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid

C21H25N3O3 — CID 134069329

IUPAC3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(26)13-16-23-14-11-19(12-15-23)24(18-9-5-2-6-10-18)21(27)22-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,27)(H,25,26)
InChIKeyBEKVRLRCWLKXQG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.66
Rot. Bonds6

About 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid

3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid (PubChem CID 134069329) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid
PubChem CID134069329
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(26)13-16-23-14-11-19(12-15-23)24(18-9-5-2-6-10-18)21(27)22-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,27)(H,25,26)
InChIKeyBEKVRLRCWLKXQG-UHFFFAOYSA-N
XLogP3.66
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43397416
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
4-[4-[[4-[N-[(4-fluorophenyl)carbamoyl]anilino]piperidin-1-yl]methyl]phenoxy]benzoic acid;hydrochloride
CID 66814646
5-oxo-5-[2-[4-(N-propanoylanilino)piperidin-1-yl]ethylamino]pentanoic acid
CID 156738344
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-1,3-diphenylurea
CID 66814655
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 10689652
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410

Frequently Asked Questions

What is the IUPAC name of 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid (CID 134069329) is 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(N(C(=O)Nc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid?
The InChIKey is BEKVRLRCWLKXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(26)13-16-23-14-11-19(12-15-23)24(18-9-5-2-6-10-18)21(27)22-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,22,27)(H,25,26).
What are the key properties of 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid?
3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid has a molecular weight of 367.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 134069329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).