3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one

C14H26N2O2 — CID 114282285

IUPAC3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C14H26N2O2/c1-6-11-13(17)15-7-8-16(11)14(18)12(9(2)3)10(4)5/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyMXBBBTVOPVCBBP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.65
Rot. Bonds4

About 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one

3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one (PubChem CID 114282285) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
PubChem CID114282285
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C14H26N2O2/c1-6-11-13(17)15-7-8-16(11)14(18)12(9(2)3)10(4)5/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyMXBBBTVOPVCBBP-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(2-aminopentanoyl)-3-ethylpiperazin-2-one
CID 63602807
3-amino-4-(2-ethyl-3-oxopiperazin-1-yl)-4-oxobutanoic acid
CID 64895581
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
[1-(2-ethyl-3-oxopiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 63601168
4-(2-amino-5-methoxypentanoyl)-3-ethylpiperazin-2-one
CID 81088563
(2S)-2-amino-N-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962479
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
4-[2-(butan-2-ylamino)acetyl]-3-ethylpiperazin-2-one
CID 63600887
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one (CID 114282285) is 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)C(C(C)C)C(C)C.
What is the InChIKey of 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one?
The InChIKey is MXBBBTVOPVCBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-6-11-13(17)15-7-8-16(11)14(18)12(9(2)3)10(4)5/h9-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one?
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one is sourced from PubChem (CID 114282285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).