2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide

C12H25N3O — CID 122544384

IUPAC2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide
SMILESCCC1CN(C)CC(CC)N1C(=O)N(C)C
InChIInChI=1S/C12H25N3O/c1-6-10-8-14(5)9-11(7-2)15(10)12(16)13(3)4/h10-11H,6-9H2,1-5H3
InChIKeyKVSYAWOJZAJQRQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.47
Rot. Bonds2

About 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide

2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide (PubChem CID 122544384) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide
PubChem CID122544384
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide
SMILESCCC1CN(C)CC(CC)N1C(=O)N(C)C
InChIInChI=1S/C12H25N3O/c1-6-10-8-14(5)9-11(7-2)15(10)12(16)13(3)4/h10-11H,6-9H2,1-5H3
InChIKeyKVSYAWOJZAJQRQ-UHFFFAOYSA-N
XLogP1.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethylcarbamazine
CID 3052
Diethylcarbamazine Monohydrochloride
CID 79300
N,N'-Diethylpropyleneurea
CID 99136
N,N'-Dipropylpropyleneurea
CID 99137
1-Piperidinecarboxamide, N,N-dimethyl-
CID 99268
N,N,N',N',2-pentamethyl-1,4-piperazinedicarboxamide
CID 3151560
1-Diethylcarbamyl-4-ethylpiperazine
CID 127066
7-Ethyloctahydro-2-methyl-6H-pyrazino(1,2-c)pyrimidin-6-one
CID 160000
1-Piperazinecarboxamide, N,N,4-trimethyl-, hydrochloride
CID 116048
N,N,4-trimethylpiperazine-1-carboxamide
CID 116049
1,3-Dibutylhexahydropyrimidin-2-one
CID 12867749
1-Piperazinecarboxamide, N,N-diisopropyl-4-methyl-, hydrochloride
CID 116046

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide?
The IUPAC name of 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide (CID 122544384) is 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide.
What is the SMILES notation for 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide?
The canonical SMILES for 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide is CCC1CN(C)CC(CC)N1C(=O)N(C)C.
What is the InChIKey of 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide?
The InChIKey is KVSYAWOJZAJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-10-8-14(5)9-11(7-2)15(10)12(16)13(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide?
2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N,N,4-trimethylpiperazine-1-carboxamide is sourced from PubChem (CID 122544384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).