methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate

C17H34N2O2 — CID 62123088

IUPACmethyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CCCN1CCCC(C)C1C)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)18-17(5,16(20)21-6)10-8-12-19-11-7-9-14(3)15(19)4/h13-15,18H,7-12H2,1-6H3
InChIKeyNDMYCXMEFAGKOI-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds7

About methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate

methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 62123088) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID62123088
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)(CCCN1CCCC(C)C1C)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)18-17(5,16(20)21-6)10-8-12-19-11-7-9-14(3)15(19)4/h13-15,18H,7-12H2,1-6H3
InChIKeyNDMYCXMEFAGKOI-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(2,3-dimethylpiperidin-1-yl)-2-methylpentanoic acid
CID 55040235
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
CID 62122902
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103502105
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
methyl 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 82752209
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 62331085
6-(2,3-dimethylpiperidin-1-yl)hexan-2-ol
CID 62123783
methyl 2-methyl-6-(oxetan-3-yloxy)-2-(propan-2-ylamino)hexanoate
CID 102607425
2-(cyclopropylamino)-4-(2,3-dimethylpiperidin-1-yl)-2-methylbutanoic acid
CID 55040284
ethyl 4-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)butanoate
CID 62122726
methyl 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-methylpentanoate
CID 102728042

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate (CID 62123088) is methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate is COC(=O)C(C)(CCCN1CCCC(C)C1C)NC(C)C.
What is the InChIKey of methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is NDMYCXMEFAGKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)18-17(5,16(20)21-6)10-8-12-19-11-7-9-14(3)15(19)4/h13-15,18H,7-12H2,1-6H3.
What are the key properties of methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate?
methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 62123088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).