4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide

C14H27N3O2 — CID 71908828

IUPAC4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CC(C)OC(C)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-4-15-14(18)17-7-5-16(6-8-17)13-9-11(2)19-12(3)10-13/h11-13H,4-10H2,1-3H3,(H,15,18)
InChIKeyMHYLTMMDNDQXHG-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds2

About 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide

4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide (PubChem CID 71908828) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide
PubChem CID71908828
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CC(C)OC(C)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-4-15-14(18)17-7-5-16(6-8-17)13-9-11(2)19-12(3)10-13/h11-13H,4-10H2,1-3H3,(H,15,18)
InChIKeyMHYLTMMDNDQXHG-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
2-[4-(ethylcarbamoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60953640
N,4-diethylpiperazine-1-carboxamide
CID 22309084
ethane;N-ethyl-6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxamide
CID 164555528
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-ethylpiperazine-1-carboxamide
CID 9207783
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
N-ethyl-4-(2-methylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 79389325
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919079

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide (CID 71908828) is 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C2CC(C)OC(C)C2)CC1.
What is the InChIKey of 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is MHYLTMMDNDQXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-15-14(18)17-7-5-16(6-8-17)13-9-11(2)19-12(3)10-13/h11-13H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide?
4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyloxan-4-yl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 71908828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).