methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)

C68H84N6O6SY31 — CID 159182025

IUPACmethane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)
SMILESC.C.CC(=O)NCc1cccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)c1.CN1CCC2(C=C(c3cccc(CN)c3)c3ccccc3O2)CC1.CN1CCC2(C=C(c3cccc(CNS(C)(=O)=O)c3)c3ccccc3O2)CC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C23H26N2O2.C22H26N2O3S.C21H24N2O.2CH4.31Y/c1-17(26)24-16-18-6-5-7-19(14-18)21-15-23(10-12-25(2)13-11-23)27-22-9-4-3-8-20(21)22;1-24-12-10-22(11-13-24)15-20(19-8-3-4-9-21(19)27-22)18-7-5-6-17(14-18)16-23-28(2,25)26;1-23-11-9-21(10-12-23)14-19(17-6-4-5-16(13-17)15-22)18-7-2-3-8-20(18)24-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26);3-9,14-15,23H,10-13,16H2,1-2H3;2-8,13-14H,9-12,15,22H2,1H3;2*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyKNACIQLFLHLGIT-UHFFFAOYSA-N
MW3869.61 g/mol
LogP11.26
Rot. Bonds9

About methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)

methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium) (PubChem CID 159182025) has the molecular formula C68H84N6O6SY31 and a molecular weight of 3869.61 g/mol. Its IUPAC name is methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium).

Molecular Properties

Compound Namemethane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)
PubChem CID159182025
Molecular FormulaC68H84N6O6SY31
Molecular Weight3869.61 g/mol
Exact Mass3868.70
IUPAC Namemethane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)
SMILESC.C.CC(=O)NCc1cccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)c1.CN1CCC2(C=C(c3cccc(CN)c3)c3ccccc3O2)CC1.CN1CCC2(C=C(c3cccc(CNS(C)(=O)=O)c3)c3ccccc3O2)CC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C23H26N2O2.C22H26N2O3S.C21H24N2O.2CH4.31Y/c1-17(26)24-16-18-6-5-7-19(14-18)21-15-23(10-12-25(2)13-11-23)27-22-9-4-3-8-20(21)22;1-24-12-10-22(11-13-24)15-20(19-8-3-4-9-21(19)27-22)18-7-5-6-17(14-18)16-23-28(2,25)26;1-23-11-9-21(10-12-23)14-19(17-6-4-5-16(13-17)15-22)18-7-2-3-8-20(18)24-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26);3-9,14-15,23H,10-13,16H2,1-2H3;2-8,13-14H,9-12,15,22H2,1H3;2*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyKNACIQLFLHLGIT-UHFFFAOYSA-N
XLogP11.26
TPSA138.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003869.61
LogP ≤ 511.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)?
The IUPAC name of methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium) (CID 159182025) is methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium).
What is the SMILES notation for methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)?
The canonical SMILES for methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium) is C.C.CC(=O)NCc1cccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)c1.CN1CCC2(C=C(c3cccc(CN)c3)c3ccccc3O2)CC1.CN1CCC2(C=C(c3cccc(CNS(C)(=O)=O)c3)c3ccccc3O2)CC1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)?
The InChIKey is KNACIQLFLHLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2.C22H26N2O3S.C21H24N2O.2CH4.31Y/c1-17(26)24-16-18-6-5-7-19(14-18)21-15-23(10-12-25(2)13-11-23)27-22-9-4-3-8-20(21)22;1-24-12-10-22(11-13-24)15-20(19-8-3-4-9-21(19)27-22)18-7-5-6-17(14-18)16-23-28(2,25)26;1-23-11-9-21(10-12-23)14-19(17-6-4-5-16(13-17)15-22)18-7-2-3-8-20(18)24-21;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,26);3-9,14-15,23H,10-13,16H2,1-2H3;2-8,13-14H,9-12,15,22H2,1H3;2*1H4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)?
methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium) has a molecular weight of 3869.61 g/mol, XLogP of 11.26, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium) is sourced from PubChem (CID 159182025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).