methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate

C17H32N2O2 — CID 62330730

IUPACmethyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(CCCN1CCC(C)CC1C)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-13-8-11-19(14(2)12-13)10-5-9-17(3,16(20)21-4)18-15-6-7-15/h13-15,18H,5-12H2,1-4H3
InChIKeyBYWPGYDNPULEEN-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.57
Rot. Bonds7

About methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate

methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate (PubChem CID 62330730) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
PubChem CID62330730
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(CCCN1CCC(C)CC1C)NC1CC1
InChIInChI=1S/C17H32N2O2/c1-13-8-11-19(14(2)12-13)10-5-9-17(3,16(20)21-4)18-15-6-7-15/h13-15,18H,5-12H2,1-4H3
InChIKeyBYWPGYDNPULEEN-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate 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-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 55062051
2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64788184
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 62331085
2-(cyclopropylamino)-6-(2,4-dimethylpiperidin-1-yl)-2-methylhexanenitrile
CID 62332365
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62330562
methyl 2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanoate
CID 79184202
ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate
CID 62332368
methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 82752209
methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63864868
methyl 2-(cyclopropylamino)-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoate
CID 83221112
ethyl 4-(2,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62329860
2-amino-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentan-1-ol
CID 64787405

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate (CID 62330730) is methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate is COC(=O)C(C)(CCCN1CCC(C)CC1C)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate?
The InChIKey is BYWPGYDNPULEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-8-11-19(14(2)12-13)10-5-9-17(3,16(20)21-4)18-15-6-7-15/h13-15,18H,5-12H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate?
methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate has a molecular weight of 296.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-5-(2,4-dimethylpiperidin-1-yl)-2-methylpentanoate is sourced from PubChem (CID 62330730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).