3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid

C15H21N3O3 — CID 115340764

IUPAC3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid
SMILESNC1CCN(C(=O)Nc2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C15H21N3O3/c16-12-7-9-18(10-8-12)15(21)17-13-4-1-11(2-5-13)3-6-14(19)20/h1-2,4-5,12H,3,6-10,16H2,(H,17,21)(H,19,20)
InChIKeyUJGRSGYHTKOPHB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds4

About 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid

3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115340764) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid
PubChem CID115340764
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid
SMILESNC1CCN(C(=O)Nc2ccc(CCC(=O)O)cc2)CC1
InChIInChI=1S/C15H21N3O3/c16-12-7-9-18(10-8-12)15(21)17-13-4-1-11(2-5-13)3-6-14(19)20/h1-2,4-5,12H,3,6-10,16H2,(H,17,21)(H,19,20)
InChIKeyUJGRSGYHTKOPHB-UHFFFAOYSA-N
XLogP1.66
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
3-[4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenyl]propanoic acid
CID 115340776
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid (CID 115340764) is 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid is NC1CCN(C(=O)Nc2ccc(CCC(=O)O)cc2)CC1.
What is the InChIKey of 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is UJGRSGYHTKOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-12-7-9-18(10-8-12)15(21)17-13-4-1-11(2-5-13)3-6-14(19)20/h1-2,4-5,12H,3,6-10,16H2,(H,17,21)(H,19,20).
What are the key properties of 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid?
3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-aminopiperidine-1-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115340764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).