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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Related Compounds

N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
2-ethylsulfonyl-1-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]ethanone
CID 95773810
N,N,3-trimethyl-3,7-diazabicyclo[4.2.0]octane-7-carboxamide
CID 166901365
(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone
CID 99820667
4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341
4-[[(4-methyl-2-propan-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 122021060
(2S)-4-methyl-N-[(2S)-oxan-2-yl]oxy-2-propan-2-ylpiperazine-1-carboxamide
CID 124857565
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
CID 58334515
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
1-(4-methyl-2-propan-2-ylpiperazin-1-yl)-2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethanone
CID 139018323
3-bromo-4-[2-(4-methyl-2-propan-2-ylpiperazin-1-yl)-2-oxoethyl]-1H-pyridin-2-one
CID 136537049

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).