methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate

C13H22N2O4 — CID 43431630

IUPACmethyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)13(18)15-6-4-5-10(8-15)12(17)14-7-11(16)19-3/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeySRCVDJVQZQMSAZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds4

About methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate

methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate (PubChem CID 43431630) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
PubChem CID43431630
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCCN(C(=O)C(C)C)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)13(18)15-6-4-5-10(8-15)12(17)14-7-11(16)19-3/h9-10H,4-8H2,1-3H3,(H,14,17)
InChIKeySRCVDJVQZQMSAZ-UHFFFAOYSA-N
XLogP0.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94093245
N-(2-hydroxy-4-methylpentyl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 103771492
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
(3R)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 94090965
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
(3R)-1-(2-methylpropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 51937754
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
(3R)-1-(2-methylpropanoyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 51937811
1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 173078011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate (CID 43431630) is methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCCN(C(=O)C(C)C)C1.
What is the InChIKey of methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate?
The InChIKey is SRCVDJVQZQMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)13(18)15-6-4-5-10(8-15)12(17)14-7-11(16)19-3/h9-10H,4-8H2,1-3H3,(H,14,17).
What are the key properties of methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate?
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate has a molecular weight of 270.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 43431630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).