4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide

C14H27N3O2 — CID 99841184

IUPAC4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)C(CNC(=O)N1CCN(C)C(=O)C1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)12(11(3)4)8-15-14(19)17-7-6-16(5)13(18)9-17/h10-12H,6-9H2,1-5H3,(H,15,19)
InChIKeyRHJYHKZFIBKRAN-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.40
Rot. Bonds4

About 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide

4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide (PubChem CID 99841184) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide
PubChem CID99841184
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide
SMILESCC(C)C(CNC(=O)N1CCN(C)C(=O)C1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)12(11(3)4)8-15-14(19)17-7-6-16(5)13(18)9-17/h10-12H,6-9H2,1-5H3,(H,15,19)
InChIKeyRHJYHKZFIBKRAN-UHFFFAOYSA-N
XLogP1.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide (CID 99841184) is 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide is CC(C)C(CNC(=O)N1CCN(C)C(=O)C1)C(C)C.
What is the InChIKey of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is RHJYHKZFIBKRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)12(11(3)4)8-15-14(19)17-7-6-16(5)13(18)9-17/h10-12H,6-9H2,1-5H3,(H,15,19).
What are the key properties of 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide?
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 99841184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).