4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide

C26H39N3O3 — CID 58199039

IUPAC4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1
InChIInChI=1S/C26H39N3O3/c1-27(2)25(30)29-14-9-20(10-15-29)19-31-23-6-7-24-21(18-23)8-11-26(32-24)12-16-28(17-13-26)22-4-3-5-22/h6-7,18,20,22H,3-5,8-17,19H2,1-2H3
InChIKeyARLYLHKKWPPPHP-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.17
Rot. Bonds4

About 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide

4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 58199039) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID58199039
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1
InChIInChI=1S/C26H39N3O3/c1-27(2)25(30)29-14-9-20(10-15-29)19-31-23-6-7-24-21(18-23)8-11-26(32-24)12-16-28(17-13-26)22-4-3-5-22/h6-7,18,20,22H,3-5,8-17,19H2,1-2H3
InChIKeyARLYLHKKWPPPHP-UHFFFAOYSA-N
XLogP4.17
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide 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'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide (CID 58199039) is 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1.
What is the InChIKey of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is ARLYLHKKWPPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-27(2)25(30)29-14-9-20(10-15-29)19-31-23-6-7-24-21(18-23)8-11-26(32-24)12-16-28(17-13-26)22-4-3-5-22/h6-7,18,20,22H,3-5,8-17,19H2,1-2H3.
What are the key properties of 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 58199039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).