methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate

C15H27N3O3 — CID 80547378

IUPACmethyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,18-10-6-16-7-11-18)14(20)17-8-4-12(5-9-17)13(19)21-3/h12,16H,4-11H2,1-3H3
InChIKeyDABGUIIJUZMSKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds3

About methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate

methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate (PubChem CID 80547378) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
PubChem CID80547378
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,18-10-6-16-7-11-18)14(20)17-8-4-12(5-9-17)13(19)21-3/h12,16H,4-11H2,1-3H3
InChIKeyDABGUIIJUZMSKF-UHFFFAOYSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
methyl 1-(4-methylpiperidine-4-carbonyl)piperidine-4-carboxylate
CID 63121313
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
methyl 1-(2-cyano-2-methylbutanoyl)piperidine-4-carboxylate
CID 114291031
tert-butyl 4-acetylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl piperidine-4-carboxylate
CID 159225828
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
tert-butyl formate;methyl 1-(2-piperazin-1-ylethyl)piperidine-4-carboxylate;piperazine
CID 175303699
N-[1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidin-3-yl]acetamide
CID 80547621

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate (CID 80547378) is methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate?
The InChIKey is DABGUIIJUZMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,18-10-6-16-7-11-18)14(20)17-8-4-12(5-9-17)13(19)21-3/h12,16H,4-11H2,1-3H3.
What are the key properties of methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate?
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 80547378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).