methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate

C14H25N3O3 — CID 61020231

IUPACmethyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-10(14(19)20-2)16-13(18)12-4-3-9-17(12)11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXOIGMFJLOJYOJU-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.12
Rot. Bonds4

About methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate

methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate (PubChem CID 61020231) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
PubChem CID61020231
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H25N3O3/c1-10(14(19)20-2)16-13(18)12-4-3-9-17(12)11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXOIGMFJLOJYOJU-UHFFFAOYSA-N
XLogP-0.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate 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

(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 79009572
(2S)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61174368
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
3-methylbutyl 1-piperidin-4-ylpyrrolidine-2-carboxylate
CID 61278696
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106096512
1-piperidin-4-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 106282622
(2R)-4-hydroxy-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825159
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate (CID 61020231) is methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate?
The InChIKey is XOIGMFJLOJYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10(14(19)20-2)16-13(18)12-4-3-9-17(12)11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate?
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate has a molecular weight of 283.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 61020231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).