N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide

C12H23N3O2 — CID 82719432

IUPACN,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide
SMILESCC1OCCC1N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C12H23N3O2/c1-9-10(4-7-17-9)15-6-5-13-8-11(15)12(16)14(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyUSDVTTRZBBDNTE-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds2

About N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide

N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide (PubChem CID 82719432) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide
PubChem CID82719432
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide
SMILESCC1OCCC1N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C12H23N3O2/c1-9-10(4-7-17-9)15-6-5-13-8-11(15)12(16)14(2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyUSDVTTRZBBDNTE-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide (CID 82719432) is N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide is CC1OCCC1N1CCNCC1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide?
The InChIKey is USDVTTRZBBDNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-10(4-7-17-9)15-6-5-13-8-11(15)12(16)14(2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide?
N,N-dimethyl-1-(2-methyloxolan-3-yl)piperazine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.47, 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-(2-methyloxolan-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 82719432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).