methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate

C14H26N2O3 — CID 62012533

IUPACmethyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-7-15(11-14(18)19-3)10-13(17)16-8-5-12(2)6-9-16/h12H,4-11H2,1-3H3
InChIKeyDZHFMDUSVBNINQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds6

About methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate

methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate (PubChem CID 62012533) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
PubChem CID62012533
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-7-15(11-14(18)19-3)10-13(17)16-8-5-12(2)6-9-16/h12H,4-11H2,1-3H3
InChIKeyDZHFMDUSVBNINQ-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-propylamino]acetate
CID 62011377
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946
ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
CID 51107839
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]acetate
CID 62953322
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
2-[[2-(azocan-1-yl)-2-oxoethyl]-propylamino]acetic acid
CID 61006933
methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62011161
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-(4-ethoxysulfinylpiperazin-1-yl)-2-oxoethyl]amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 59935061
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate (CID 62012533) is methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)OC)CC(=O)N1CCC(C)CC1.
What is the InChIKey of methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate?
The InChIKey is DZHFMDUSVBNINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-15(11-14(18)19-3)10-13(17)16-8-5-12(2)6-9-16/h12H,4-11H2,1-3H3.
What are the key properties of methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 62012533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).