1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid

C13H23N3O4 — CID 103244738

IUPAC1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)CCNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-15(2)11(17)3-6-14-9-12(18)16-7-4-10(5-8-16)13(19)20/h10,14H,3-9H2,1-2H3,(H,19,20)
InChIKeyLJCXKYRGUWAVDK-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.62
Rot. Bonds6

About 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid

1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103244738) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
PubChem CID103244738
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)CCNCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-15(2)11(17)3-6-14-9-12(18)16-7-4-10(5-8-16)13(19)20/h10,14H,3-9H2,1-2H3,(H,19,20)
InChIKeyLJCXKYRGUWAVDK-UHFFFAOYSA-N
XLogP-0.62
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-(3-methylsulfanylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103252031
1-[2-(2-methylpropylamino)acetyl]piperidine-4-carboxylic acid
CID 103869483
1-[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103237505
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
1-[2-(prop-2-enylamino)acetyl]piperidine-4-carboxylic acid
CID 79279797
1-[2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106305639
1-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 114154411
1-[2-(2-pyrazol-1-ylethylamino)acetyl]piperidine-4-carboxylic acid
CID 103247153

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid (CID 103244738) is 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid is CN(C)C(=O)CCNCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is LJCXKYRGUWAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-15(2)11(17)3-6-14-9-12(18)16-7-4-10(5-8-16)13(19)20/h10,14H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(dimethylamino)-3-oxopropyl]amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103244738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).