ethane;N-ethyl-4-methylpiperazine-1-carboxamide

C10H23N3O — CID 162757758

IUPACethane;N-ethyl-4-methylpiperazine-1-carboxamide
SMILESCC.CCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H17N3O.C2H6/c1-3-9-8(12)11-6-4-10(2)5-7-11;1-2/h3-7H2,1-2H3,(H,9,12);1-2H3
InChIKeyUPTIJFWQTYQWLX-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.99
Rot. Bonds1

About ethane;N-ethyl-4-methylpiperazine-1-carboxamide

ethane;N-ethyl-4-methylpiperazine-1-carboxamide (PubChem CID 162757758) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;N-ethyl-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-4-methylpiperazine-1-carboxamide
PubChem CID162757758
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Nameethane;N-ethyl-4-methylpiperazine-1-carboxamide
SMILESCC.CCNC(=O)N1CCN(C)CC1
InChIInChI=1S/C8H17N3O.C2H6/c1-3-9-8(12)11-6-4-10(2)5-7-11;1-2/h3-7H2,1-2H3,(H,9,12);1-2H3
InChIKeyUPTIJFWQTYQWLX-UHFFFAOYSA-N
XLogP0.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
N,4-diethylpiperazine-1-carboxamide
CID 22309084
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
N-ethylpiperazine-1-carboxamide
CID 9207783
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
N-but-2-ynyl-4-methylpiperazine-1-carboxamide
CID 143657710
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
prop-1-en-2-yl 4-(ethylcarbamoyl)piperazine-1-carboxylate
CID 89259378

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-methylpiperazine-1-carboxamide?
The IUPAC name of ethane;N-ethyl-4-methylpiperazine-1-carboxamide (CID 162757758) is ethane;N-ethyl-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for ethane;N-ethyl-4-methylpiperazine-1-carboxamide?
The canonical SMILES for ethane;N-ethyl-4-methylpiperazine-1-carboxamide is CC.CCNC(=O)N1CCN(C)CC1.
What is the InChIKey of ethane;N-ethyl-4-methylpiperazine-1-carboxamide?
The InChIKey is UPTIJFWQTYQWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.C2H6/c1-3-9-8(12)11-6-4-10(2)5-7-11;1-2/h3-7H2,1-2H3,(H,9,12);1-2H3.
What are the key properties of ethane;N-ethyl-4-methylpiperazine-1-carboxamide?
ethane;N-ethyl-4-methylpiperazine-1-carboxamide has a molecular weight of 201.31 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 162757758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).