N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide

C28H34N4O3 — CID 157036154

IUPACN-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCC3(COC3)C2)C(c2ccccc2)C1
InChIInChI=1S/C28H34N4O3/c1-30-13-14-32(25(16-30)20-5-3-2-4-6-20)27(34)23-10-9-22(29-26(33)21-7-8-21)15-24(23)31-12-11-28(17-31)18-35-19-28/h2-6,9-10,15,21,25H,7-8,11-14,16-19H2,1H3,(H,29,33)
InChIKeyPDCJARZLHNOPEJ-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide

N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide (PubChem CID 157036154) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide
PubChem CID157036154
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCC3(COC3)C2)C(c2ccccc2)C1
InChIInChI=1S/C28H34N4O3/c1-30-13-14-32(25(16-30)20-5-3-2-4-6-20)27(34)23-10-9-22(29-26(33)21-7-8-21)15-24(23)31-12-11-28(17-31)18-35-19-28/h2-6,9-10,15,21,25H,7-8,11-14,16-19H2,1H3,(H,29,33)
InChIKeyPDCJARZLHNOPEJ-UHFFFAOYSA-N
XLogP3.39
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide 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 N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide (CID 157036154) is N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide is CN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCC3(COC3)C2)C(c2ccccc2)C1.
What is the InChIKey of N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is PDCJARZLHNOPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-30-13-14-32(25(16-30)20-5-3-2-4-6-20)27(34)23-10-9-22(29-26(33)21-7-8-21)15-24(23)31-12-11-28(17-31)18-35-19-28/h2-6,9-10,15,21,25H,7-8,11-14,16-19H2,1H3,(H,29,33).
What are the key properties of N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide?
N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)-3-(2-oxa-7-azaspiro[3.4]octan-7-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 157036154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).