N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide

C13H23N3O3 — CID 62214583

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C1CCCCO1
InChIInChI=1S/C13H23N3O3/c1-15(13(18)11-4-2-3-9-19-11)10-12(17)16-7-5-14-6-8-16/h11,14H,2-10H2,1H3
InChIKeyDYULLAGHQRNYAD-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.55
Rot. Bonds3

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide (PubChem CID 62214583) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide
PubChem CID62214583
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide
SMILESCN(CC(=O)N1CCNCC1)C(=O)C1CCCCO1
InChIInChI=1S/C13H23N3O3/c1-15(13(18)11-4-2-3-9-19-11)10-12(17)16-7-5-14-6-8-16/h11,14H,2-10H2,1H3
InChIKeyDYULLAGHQRNYAD-UHFFFAOYSA-N
XLogP-0.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-2-carboxamide;hydrochloride
CID 119260081
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide
CID 43603207
(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenyloxane-3-carboxamide
CID 119454627
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
N-(2-hydroxyethyl)-N-methyloxane-2-carboxamide
CID 62212648
N-methyl-N-(piperidin-3-ylmethyl)oxane-2-carboxamide
CID 106627771
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 63005448
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide (CID 62214583) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide is CN(CC(=O)N1CCNCC1)C(=O)C1CCCCO1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide?
The InChIKey is DYULLAGHQRNYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15(13(18)11-4-2-3-9-19-11)10-12(17)16-7-5-14-6-8-16/h11,14H,2-10H2,1H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxane-2-carboxamide is sourced from PubChem (CID 62214583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).