methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate

C15H28N2O2 — CID 79631848

IUPACmethyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,14(18)19-3)11-17-8-4-5-12(10-17)9-16-13-6-7-13/h12-13,16H,4-11H2,1-3H3
InChIKeyONKRKFPQKBUGGX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds6

About methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate

methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate (PubChem CID 79631848) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
PubChem CID79631848
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,14(18)19-3)11-17-8-4-5-12(10-17)9-16-13-6-7-13/h12-13,16H,4-11H2,1-3H3
InChIKeyONKRKFPQKBUGGX-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate with MolForge

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Related Compounds

3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoic acid
CID 79630442
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
N-[[1-(methoxymethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 65365085
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79354897
methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
CID 79621134
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 114502582
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate (CID 79631848) is methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCCC(CNC2CC2)C1.
What is the InChIKey of methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate?
The InChIKey is ONKRKFPQKBUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,14(18)19-3)11-17-8-4-5-12(10-17)9-16-13-6-7-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate?
methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate has a molecular weight of 268.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 79631848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).