ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide

C13H29N3O — CID 157028583

IUPACethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC.CNC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H23N3O.C2H6/c1-10(2)4-5-13-6-8-14(9-7-13)11(15)12-3;1-2/h10H,4-9H2,1-3H3,(H,12,15);1-2H3
InChIKeyVFWAMOOUYJWCQL-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.02
Rot. Bonds3

About ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide

ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 157028583) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Nameethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID157028583
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Nameethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC.CNC(=O)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C11H23N3O.C2H6/c1-10(2)4-5-13-6-8-14(9-7-13)11(15)12-3;1-2/h10H,4-9H2,1-3H3,(H,12,15);1-2H3
InChIKeyVFWAMOOUYJWCQL-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutyl)piperazine-1-carboxamide
CID 51083433
3-(ethylamino)-1-[4-(3-methylbutyl)piperazin-1-yl]butan-1-one
CID 55121642
N-methyl-4-(2-methylpropanoyl)piperazine-1-carboxamide
CID 47127249

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide (CID 157028583) is ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide is CC.CNC(=O)N1CCN(CCC(C)C)CC1.
What is the InChIKey of ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is VFWAMOOUYJWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C2H6/c1-10(2)4-5-13-6-8-14(9-7-13)11(15)12-3;1-2/h10H,4-9H2,1-3H3,(H,12,15);1-2H3.
What are the key properties of ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide?
ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 243.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 157028583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).