methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate

C17H34N2O2 — CID 103502105

IUPACmethyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
SMILESCOC(=O)C(C)(CCN1CCC(C(C)C)CC1)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)15-7-10-19(11-8-15)12-9-17(5,16(20)21-6)18-14(3)4/h13-15,18H,7-12H2,1-6H3
InChIKeyDEVBSTGWQGWYKV-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.67
Rot. Bonds7

About methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate

methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate (PubChem CID 103502105) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
PubChem CID103502105
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Namemethyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate
SMILESCOC(=O)C(C)(CCN1CCC(C(C)C)CC1)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)15-7-10-19(11-8-15)12-9-17(5,16(20)21-6)18-14(3)4/h13-15,18H,7-12H2,1-6H3
InChIKeyDEVBSTGWQGWYKV-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950
methyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)butanoate
CID 62973498
methyl 4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62089716
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 113418645
methyl 4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 81463972
methyl 4-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)-2-methylbutanoate
CID 62091812
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
CID 55162522
methyl 5-(2,3-dimethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 62123088
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539267
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate (CID 103502105) is methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate is COC(=O)C(C)(CCN1CCC(C(C)C)CC1)NC(C)C.
What is the InChIKey of methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate?
The InChIKey is DEVBSTGWQGWYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)15-7-10-19(11-8-15)12-9-17(5,16(20)21-6)18-14(3)4/h13-15,18H,7-12H2,1-6H3.
What are the key properties of methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate?
methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate has a molecular weight of 298.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanoate is sourced from PubChem (CID 103502105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).