N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide

C13H23N3O3 — CID 114826425

IUPACN,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide
SMILESCC1CC(C(=O)N2CCNCC2C(=O)N(C)C)CO1
InChIInChI=1S/C13H23N3O3/c1-9-6-10(8-19-9)12(17)16-5-4-14-7-11(16)13(18)15(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyHGXBAODALJYWFF-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.70
Rot. Bonds2

About N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide

N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide (PubChem CID 114826425) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide
PubChem CID114826425
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide
SMILESCC1CC(C(=O)N2CCNCC2C(=O)N(C)C)CO1
InChIInChI=1S/C13H23N3O3/c1-9-6-10(8-19-9)12(17)16-5-4-14-7-11(16)13(18)15(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyHGXBAODALJYWFF-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824171
N,N-dimethyl-1-(5-oxopyrrolidine-3-carbonyl)piperazine-2-carboxamide
CID 83191600
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
(2,6-dimethylpiperazin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826406
N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide
CID 82719432
N,N-dimethyl-1-(3-methylpiperidine-1-carbonyl)piperazine-2-carboxamide
CID 79163292
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004
(3-methylazetidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 130634223
(5-methyloxolan-3-yl)-piperidin-1-ylmethanone
CID 114826120
1-(3-chloro-5-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81315811
N,5-dimethyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627633

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide (CID 114826425) is N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide is CC1CC(C(=O)N2CCNCC2C(=O)N(C)C)CO1.
What is the InChIKey of N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide?
The InChIKey is HGXBAODALJYWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-6-10(8-19-9)12(17)16-5-4-14-7-11(16)13(18)15(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide?
N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methyloxolane-3-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 114826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).