methyl 3-methyl-2-piperidin-3-ylbutanoate

C11H21NO2 — CID 83880549

IUPACmethyl 3-methyl-2-piperidin-3-ylbutanoate
SMILESCOC(=O)C(C(C)C)C1CCCNC1
InChIInChI=1S/C11H21NO2/c1-8(2)10(11(13)14-3)9-5-4-6-12-7-9/h8-10,12H,4-7H2,1-3H3
InChIKeyYVTCLJYEDTVFLM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.43
Rot. Bonds3

About methyl 3-methyl-2-piperidin-3-ylbutanoate

methyl 3-methyl-2-piperidin-3-ylbutanoate (PubChem CID 83880549) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-methyl-2-piperidin-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-piperidin-3-ylbutanoate
PubChem CID83880549
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-methyl-2-piperidin-3-ylbutanoate
SMILESCOC(=O)C(C(C)C)C1CCCNC1
InChIInChI=1S/C11H21NO2/c1-8(2)10(11(13)14-3)9-5-4-6-12-7-9/h8-10,12H,4-7H2,1-3H3
InChIKeyYVTCLJYEDTVFLM-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-oxo-2-piperidin-3-ylbutanoate
CID 67652399
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
1-amino-1-piperidin-3-ylpropan-2-one
CID 129030594
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
N-(1-piperidin-3-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260228
methyl (2S)-3-methyl-2-[(2-piperidin-3-ylacetyl)amino]butanoate
CID 62675949
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
methyl (2S)-2-(azepan-4-ylamino)propanoate
CID 103981308

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-piperidin-3-ylbutanoate?
The IUPAC name of methyl 3-methyl-2-piperidin-3-ylbutanoate (CID 83880549) is methyl 3-methyl-2-piperidin-3-ylbutanoate.
What is the SMILES notation for methyl 3-methyl-2-piperidin-3-ylbutanoate?
The canonical SMILES for methyl 3-methyl-2-piperidin-3-ylbutanoate is COC(=O)C(C(C)C)C1CCCNC1.
What is the InChIKey of methyl 3-methyl-2-piperidin-3-ylbutanoate?
The InChIKey is YVTCLJYEDTVFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(11(13)14-3)9-5-4-6-12-7-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 3-methyl-2-piperidin-3-ylbutanoate?
methyl 3-methyl-2-piperidin-3-ylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-piperidin-3-ylbutanoate is sourced from PubChem (CID 83880549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).