1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]

C22H32N2O2 — CID 58198985

IUPAC1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cc2c(cc1OC1CCNCC1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C22H32N2O2/c1-2-18(3-1)24-14-10-22(11-15-24)9-6-17-16-20(4-5-21(17)26-22)25-19-7-12-23-13-8-19/h4-5,16,18-19,23H,1-3,6-15H2
InChIKeyIALVKGMYVHTORI-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.53
Rot. Bonds3

About 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]

1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 58198985) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID58198985
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cc2c(cc1OC1CCNCC1)CCC1(CCN(C3CCC3)CC1)O2
InChIInChI=1S/C22H32N2O2/c1-2-18(3-1)24-14-10-22(11-15-24)9-6-17-16-20(4-5-21(17)26-22)25-19-7-12-23-13-8-19/h4-5,16,18-19,23H,1-3,6-15H2
InChIKeyIALVKGMYVHTORI-UHFFFAOYSA-N
XLogP3.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 58198985) is 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] is c1cc2c(cc1OC1CCNCC1)CCC1(CCN(C3CCC3)CC1)O2.
What is the InChIKey of 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is IALVKGMYVHTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-2-18(3-1)24-14-10-22(11-15-24)9-6-17-16-20(4-5-21(17)26-22)25-19-7-12-23-13-8-19/h4-5,16,18-19,23H,1-3,6-15H2.
What are the key properties of 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 356.51 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-piperidin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 58198985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).