methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate

C14H27N3O2 — CID 80552988

IUPACmethyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
SMILESCOC(=O)CC(C)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H27N3O2/c1-11(9-14(18)19-2)17-8-5-13(10-17)16-6-3-12(15)4-7-16/h11-13H,3-10,15H2,1-2H3
InChIKeyHFBAIAZFFDZYLK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate

methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate (PubChem CID 80552988) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
PubChem CID80552988
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Namemethyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
SMILESCOC(=O)CC(C)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H27N3O2/c1-11(9-14(18)19-2)17-8-5-13(10-17)16-6-3-12(15)4-7-16/h11-13H,3-10,15H2,1-2H3
InChIKeyHFBAIAZFFDZYLK-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate 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

methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
methyl 3-(4-aminopiperidin-1-yl)pentanoate
CID 112709356
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-propylpropanamide
CID 80553139
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanoate
CID 79935337
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
1-(1-heptan-4-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80552662

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate?
The IUPAC name of methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate (CID 80552988) is methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate.
What is the SMILES notation for methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate?
The canonical SMILES for methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate is COC(=O)CC(C)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate?
The InChIKey is HFBAIAZFFDZYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(9-14(18)19-2)17-8-5-13(10-17)16-6-3-12(15)4-7-16/h11-13H,3-10,15H2,1-2H3.
What are the key properties of methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate?
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate is sourced from PubChem (CID 80552988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).