methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate

C16H30N2O3 — CID 102966545

IUPACmethyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(CC(C)N1CCCC(OC)C1)NC1CC1
InChIInChI=1S/C16H30N2O3/c1-12(18-9-5-6-14(11-18)20-3)10-16(2,15(19)21-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3
InChIKeyXISLDXIBDUSCMJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate

methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate (PubChem CID 102966545) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
PubChem CID102966545
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
SMILESCOC(=O)C(C)(CC(C)N1CCCC(OC)C1)NC1CC1
InChIInChI=1S/C16H30N2O3/c1-12(18-9-5-6-14(11-18)20-3)10-16(2,15(19)21-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3
InChIKeyXISLDXIBDUSCMJ-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylpyrrolidin-1-yl)pentanoate
CID 64709444
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 103538071
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
methyl 2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103537978
methyl 2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711132
2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
CID 64703050
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanoate
CID 64706110
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate (CID 102966545) is methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate is COC(=O)C(C)(CC(C)N1CCCC(OC)C1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate?
The InChIKey is XISLDXIBDUSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(18-9-5-6-14(11-18)20-3)10-16(2,15(19)21-4)17-13-7-8-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate?
methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate is sourced from PubChem (CID 102966545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).