[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone

C33H43N3O3 — CID 146244667

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CNc3ccccc3C23CCCCCCCCC3)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C33H43N3O3/c37-30(35-20-22-36(23-21-35)31(38)33(39)18-19-33)26-14-12-25(13-15-26)28-24-34-29-11-7-6-10-27(29)32(28)16-8-4-2-1-3-5-9-17-32/h6-7,10-15,28,34,39H,1-5,8-9,16-24H2
InChIKeyBDXBENMUONAVAS-UHFFFAOYSA-N
MW529.73 g/mol
LogP5.47
Rot. Bonds3

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone (PubChem CID 146244667) has the molecular formula C33H43N3O3 and a molecular weight of 529.73 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone
PubChem CID146244667
Molecular FormulaC33H43N3O3
Molecular Weight529.73 g/mol
Exact Mass529.33
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone
SMILESO=C(c1ccc(C2CNc3ccccc3C23CCCCCCCCC3)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C33H43N3O3/c37-30(35-20-22-36(23-21-35)31(38)33(39)18-19-33)26-14-12-25(13-15-26)28-24-34-29-11-7-6-10-27(29)32(28)16-8-4-2-1-3-5-9-17-32/h6-7,10-15,28,34,39H,1-5,8-9,16-24H2
InChIKeyBDXBENMUONAVAS-UHFFFAOYSA-N
XLogP5.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone 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 [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone (CID 146244667) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone is O=C(c1ccc(C2CNc3ccccc3C23CCCCCCCCC3)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone?
The InChIKey is BDXBENMUONAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O3/c37-30(35-20-22-36(23-21-35)31(38)33(39)18-19-33)26-14-12-25(13-15-26)28-24-34-29-11-7-6-10-27(29)32(28)16-8-4-2-1-3-5-9-17-32/h6-7,10-15,28,34,39H,1-5,8-9,16-24H2.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone has a molecular weight of 529.73 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-spiro[2,3-dihydro-1H-quinoline-4,1'-cyclodecane]-3-ylphenyl)methanone is sourced from PubChem (CID 146244667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).