3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one

C20H26N2O2 — CID 119032912

IUPAC3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)C1CC12CCCc1ccccc12
InChIInChI=1S/C20H26N2O2/c1-13(2)17-18(23)21-10-11-22(17)19(24)16-12-20(16)9-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,13,16-17H,5,7,9-12H2,1-2H3,(H,21,23)
InChIKeyJNXHARBGPZIUIW-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.26
Rot. Bonds2

About 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one

3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one (PubChem CID 119032912) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one
PubChem CID119032912
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)C1CC12CCCc1ccccc12
InChIInChI=1S/C20H26N2O2/c1-13(2)17-18(23)21-10-11-22(17)19(24)16-12-20(16)9-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,13,16-17H,5,7,9-12H2,1-2H3,(H,21,23)
InChIKeyJNXHARBGPZIUIW-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one?
The IUPAC name of 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one (CID 119032912) is 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one?
The canonical SMILES for 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one is CC(C)C1C(=O)NCCN1C(=O)C1CC12CCCc1ccccc12.
What is the InChIKey of 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one?
The InChIKey is JNXHARBGPZIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)17-18(23)21-10-11-22(17)19(24)16-12-20(16)9-5-7-14-6-3-4-8-15(14)20/h3-4,6,8,13,16-17H,5,7,9-12H2,1-2H3,(H,21,23).
What are the key properties of 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one?
3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one is sourced from PubChem (CID 119032912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).