1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]

C28H31N3O — CID 154356382

IUPAC1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]
SMILESCN1COC2(C1)CN(C1CCN(C3Cc4cccc5cccc3c45)CC1)c1ccccc12
InChIInChI=1S/C28H31N3O/c1-29-17-28(32-19-29)18-31(25-11-3-2-10-24(25)28)22-12-14-30(15-13-22)26-16-21-8-4-6-20-7-5-9-23(26)27(20)21/h2-11,22,26H,12-19H2,1H3
InChIKeyDOEHKADPHNRCGP-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.54
Rot. Bonds2

About 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]

1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole] (PubChem CID 154356382) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole].

Molecular Properties

Compound Name1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]
PubChem CID154356382
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]
SMILESCN1COC2(C1)CN(C1CCN(C3Cc4cccc5cccc3c45)CC1)c1ccccc12
InChIInChI=1S/C28H31N3O/c1-29-17-28(32-19-29)18-31(25-11-3-2-10-24(25)28)22-12-14-30(15-13-22)26-16-21-8-4-6-20-7-5-9-23(26)27(20)21/h2-11,22,26H,12-19H2,1H3
InChIKeyDOEHKADPHNRCGP-UHFFFAOYSA-N
XLogP4.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]?
The IUPAC name of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole] (CID 154356382) is 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole].
What is the SMILES notation for 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]?
The canonical SMILES for 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole] is CN1COC2(C1)CN(C1CCN(C3Cc4cccc5cccc3c45)CC1)c1ccccc12.
What is the InChIKey of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]?
The InChIKey is DOEHKADPHNRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-29-17-28(32-19-29)18-31(25-11-3-2-10-24(25)28)22-12-14-30(15-13-22)26-16-21-8-4-6-20-7-5-9-23(26)27(20)21/h2-11,22,26H,12-19H2,1H3.
What are the key properties of 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole]?
1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole] has a molecular weight of 425.58 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(1,2-dihydroacenaphthylen-1-yl)piperidin-4-yl]-3-methylspiro[1,3-oxazolidine-5,3'-2H-indole] is sourced from PubChem (CID 154356382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).