4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one

C14H28N2O — CID 142041081

IUPAC4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one
SMILESCCCC1C(=O)N(C(C)C)CCN1C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-7-8-12-13(17)15(11(2)3)9-10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyYAOKPHAWYKTQSR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.51
Rot. Bonds3

About 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one

4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one (PubChem CID 142041081) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one
PubChem CID142041081
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one
SMILESCCCC1C(=O)N(C(C)C)CCN1C(C)(C)C
InChIInChI=1S/C14H28N2O/c1-7-8-12-13(17)15(11(2)3)9-10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyYAOKPHAWYKTQSR-UHFFFAOYSA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
CID 12789509
(3R)-3-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 96680803
3-(2-methylpropyl)-1-propan-2-ylpyrrolidin-2-one
CID 67806097
3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115672858
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
CID 104830282
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
6-ethyl-4-propan-2-yl-3-propylmorpholine-2,5-dione
CID 131857238

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one?
The IUPAC name of 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one (CID 142041081) is 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one.
What is the SMILES notation for 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one?
The canonical SMILES for 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one is CCCC1C(=O)N(C(C)C)CCN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one?
The InChIKey is YAOKPHAWYKTQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-8-12-13(17)15(11(2)3)9-10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one?
4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propan-2-yl-3-propylpiperazin-2-one is sourced from PubChem (CID 142041081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).