ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide

C13H29N3O — CID 177202720

IUPACethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC.CC(C)C1CN(C)CCN1C(=O)N(C)C
InChIInChI=1S/C11H23N3O.C2H6/c1-9(2)10-8-13(5)6-7-14(10)11(15)12(3)4;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyJINYXHFMQVREAU-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.97
Rot. Bonds1

About ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide

ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 177202720) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Nameethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID177202720
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Nameethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC.CC(C)C1CN(C)CCN1C(=O)N(C)C
InChIInChI=1S/C11H23N3O.C2H6/c1-9(2)10-8-13(5)6-7-14(10)11(15)12(3)4;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyJINYXHFMQVREAU-UHFFFAOYSA-N
XLogP1.97
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide (CID 177202720) is ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide is CC.CC(C)C1CN(C)CCN1C(=O)N(C)C.
What is the InChIKey of ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is JINYXHFMQVREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2H6/c1-9(2)10-8-13(5)6-7-14(10)11(15)12(3)4;1-2/h9-10H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide?
ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 243.39 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,4-trimethyl-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 177202720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).