methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate

C15H28N2O2 — CID 134324864

IUPACmethyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate
SMILESCOC(=O)CC(C)[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C15H28N2O2/c1-11(9-15(18)19-3)13-5-4-8-17(13)14-6-7-16-10-12(14)2/h11-14,16H,4-10H2,1-3H3/t11?,12?,13-,14?/m0/s1
InChIKeyGCZXSDWXYFXVKY-RFPFOJJUSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds4

About methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate

methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate (PubChem CID 134324864) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate
PubChem CID134324864
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate
SMILESCOC(=O)CC(C)[C@@H]1CCCN1C1CCNCC1C
InChIInChI=1S/C15H28N2O2/c1-11(9-15(18)19-3)13-5-4-8-17(13)14-6-7-16-10-12(14)2/h11-14,16H,4-10H2,1-3H3/t11?,12?,13-,14?/m0/s1
InChIKeyGCZXSDWXYFXVKY-RFPFOJJUSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-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 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668
4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
CID 134335422
3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
CID 134339511
(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
CID 134324824
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134339327
2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134341384
methyl 3-(1-methylazepan-4-yl)butanoate
CID 175612664
methyl 2-pyrrolidin-3-ylsulfanylacetate
CID 62327248
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
3-methyl-4-piperidin-1-ylpiperidine
CID 18457680
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 67315320

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate?
The IUPAC name of methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate (CID 134324864) is methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate.
What is the SMILES notation for methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate?
The canonical SMILES for methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate is COC(=O)CC(C)[C@@H]1CCCN1C1CCNCC1C.
What is the InChIKey of methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate?
The InChIKey is GCZXSDWXYFXVKY-RFPFOJJUSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(9-15(18)19-3)13-5-4-8-17(13)14-6-7-16-10-12(14)2/h11-14,16H,4-10H2,1-3H3/t11?,12?,13-,14?/m0/s1.
What are the key properties of methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate?
methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate is sourced from PubChem (CID 134324864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).