methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate

C14H26N2O3 — CID 61360608

IUPACmethyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)NCC(C)C
InChIInChI=1S/C14H26N2O3/c1-11(2)9-15-13(17)10-16-7-5-4-6-12(16)8-14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyPXFNTFVFTDFNRL-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds6

About methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate

methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate (PubChem CID 61360608) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
PubChem CID61360608
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CC(=O)NCC(C)C
InChIInChI=1S/C14H26N2O3/c1-11(2)9-15-13(17)10-16-7-5-4-6-12(16)8-14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyPXFNTFVFTDFNRL-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
methyl 2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 62026394
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
methyl 2-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 60524224
N-(2-methylpropyl)-2-[(2R)-2-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 94778620
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63855304
methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
N-(2-methylpropyl)-2-[2-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63854873
methyl 2-[1-(2-cyanoethyl)piperidin-2-yl]acetate
CID 62028861

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate (CID 61360608) is methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CC(=O)NCC(C)C.
What is the InChIKey of methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate?
The InChIKey is PXFNTFVFTDFNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)9-15-13(17)10-16-7-5-4-6-12(16)8-14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate?
methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate has a molecular weight of 270.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 61360608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).