[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone

C27H33N3O4 — CID 58199424

IUPAC[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1)N1CCOCC1
InChIInChI=1S/C27H33N3O4/c31-26(30-14-16-32-17-15-30)20-4-6-22(7-5-20)28-23-8-9-25-21(18-23)19-33-27(34-25)10-12-29(13-11-27)24-2-1-3-24/h4-9,18,24,28H,1-3,10-17,19H2
InChIKeyZNJHSWLNLPFBLC-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.16
Rot. Bonds4

About [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone

[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 58199424) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID58199424
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1)N1CCOCC1
InChIInChI=1S/C27H33N3O4/c31-26(30-14-16-32-17-15-30)20-4-6-22(7-5-20)28-23-8-9-25-21(18-23)19-33-27(34-25)10-12-29(13-11-27)24-2-1-3-24/h4-9,18,24,28H,1-3,10-17,19H2
InChIKeyZNJHSWLNLPFBLC-UHFFFAOYSA-N
XLogP4.16
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]-N-methylbenzamide
CID 58199006
(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-7-yl)-pyrrolidin-1-ylmethanone
CID 58199416
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 58199048
1-(4-chlorophenyl)-3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)urea
CID 58199235
[2-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 58199309
N-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2-methylpyridine-4-carboxamide
CID 58199036
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-methyl-N-(oxan-4-yl)benzamide
CID 58199138
2-[2-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]ethylamino]ethanol
CID 143841761
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-N,3-dimethylbenzamide
CID 58199254
1'-cyclobutyl-6-nitrospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 58199306
[1-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-3-(pyrrolidine-1-carbonyl)cyclobutyl] acetate
CID 58198885
4-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-2,6-difluoro-N-methylbenzamide
CID 58199503

Frequently Asked Questions

What is the IUPAC name of [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 58199424) is [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)cc1)N1CCOCC1.
What is the InChIKey of [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is ZNJHSWLNLPFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c31-26(30-14-16-32-17-15-30)20-4-6-22(7-5-20)28-23-8-9-25-21(18-23)19-33-27(34-25)10-12-29(13-11-27)24-2-1-3-24/h4-9,18,24,28H,1-3,10-17,19H2.
What are the key properties of [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone?
[4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 463.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58199424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).