(3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one

C14H26N2O — CID 171587719

IUPAC(3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C2CC2)C(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-10(2)15-8-9-16(11-6-7-11)13(17)12(15)14(3,4)5/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyRFIUXSDLMINFNE-GFCCVEGCSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds2

About (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one

(3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one (PubChem CID 171587719) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one
PubChem CID171587719
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C2CC2)C(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C14H26N2O/c1-10(2)15-8-9-16(11-6-7-11)13(17)12(15)14(3,4)5/h10-12H,6-9H2,1-5H3/t12-/m1/s1
InChIKeyRFIUXSDLMINFNE-GFCCVEGCSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one?
The IUPAC name of (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one (CID 171587719) is (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C2CC2)C(=O)[C@@H]1C(C)(C)C.
What is the InChIKey of (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one?
The InChIKey is RFIUXSDLMINFNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)15-8-9-16(11-6-7-11)13(17)12(15)14(3,4)5/h10-12H,6-9H2,1-5H3/t12-/m1/s1.
What are the key properties of (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one?
(3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butyl-1-cyclopropyl-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 171587719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).