methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate

C14H26N2O2 — CID 83991939

IUPACmethyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(NC2CC2)CC(C(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-10(2)11-6-13(15-12-4-5-12)8-16(7-11)9-14(17)18-3/h10-13,15H,4-9H2,1-3H3
InChIKeyMUEKPWSLDMNOLK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds5

About methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate

methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate (PubChem CID 83991939) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
PubChem CID83991939
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(NC2CC2)CC(C(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-10(2)11-6-13(15-12-4-5-12)8-16(7-11)9-14(17)18-3/h10-13,15H,4-9H2,1-3H3
InChIKeyMUEKPWSLDMNOLK-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996782
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999544
1-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83991687
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate (CID 83991939) is methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate is COC(=O)CN1CC(NC2CC2)CC(C(C)C)C1.
What is the InChIKey of methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The InChIKey is MUEKPWSLDMNOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)11-6-13(15-12-4-5-12)8-16(7-11)9-14(17)18-3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate has a molecular weight of 254.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate is sourced from PubChem (CID 83991939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).