methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate

C15H30N2O2 — CID 55145293

IUPACmethyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCC(C)(C)CC1)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-9-16-13(14(18)19-4)6-10-17-11-7-15(2,3)8-12-17/h13,16H,5-12H2,1-4H3
InChIKeyFHFOEZNVZQREPA-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

About methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate

methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate (PubChem CID 55145293) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
PubChem CID55145293
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCC(C)(C)CC1)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-9-16-13(14(18)19-4)6-10-17-11-7-15(2,3)8-12-17/h13,16H,5-12H2,1-4H3
InChIKeyFHFOEZNVZQREPA-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)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 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
CID 55144311
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
CID 63055078
ethyl 2-(cyclopropylamino)-4-(4,4-dimethylazepan-1-yl)butanoate
CID 65282142
methyl 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(propylamino)butanoate
CID 63054403
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propylamino)butanoate
CID 65324539
methyl 4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butanoate
CID 63028267

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate (CID 55145293) is methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate is CCCNC(CCN1CCC(C)(C)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate?
The InChIKey is FHFOEZNVZQREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-16-13(14(18)19-4)6-10-17-11-7-15(2,3)8-12-17/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate?
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate is sourced from PubChem (CID 55145293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).