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

C22H26N2O2 — CID 58199129

IUPAC1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cc(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccn1
InChIInChI=1S/C22H26N2O2/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/h4-5,7-8,12-13,16,18H,1-3,6,9-11,14-15H2
InChIKeyHKSGVRMNRWKFOS-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.59
Rot. Bonds3

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

1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 58199129) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID58199129
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1cc(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccn1
InChIInChI=1S/C22H26N2O2/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/h4-5,7-8,12-13,16,18H,1-3,6,9-11,14-15H2
InChIKeyHKSGVRMNRWKFOS-UHFFFAOYSA-N
XLogP4.59
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] (CID 58199129) is 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] is c1cc(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)ccn1.
What is the InChIKey of 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is HKSGVRMNRWKFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/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/h4-5,7-8,12-13,16,18H,1-3,6,9-11,14-15H2.
What are the key properties of 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 350.46 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclobutyl-6-pyridin-4-yloxyspiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 58199129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).