1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]

C16H18N2O — CID 58551391

IUPAC1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]
SMILESCN1CCC2(CC1)Oc1ccccc1-n1cccc12
InChIInChI=1S/C16H18N2O/c1-17-11-8-16(9-12-17)15-7-4-10-18(15)13-5-2-3-6-14(13)19-16/h2-7,10H,8-9,11-12H2,1H3
InChIKeyFDUYQGGARKDILG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.79
Rot. Bonds

About 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]

1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine] (PubChem CID 58551391) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine].

Molecular Properties

Compound Name1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]
PubChem CID58551391
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]
SMILESCN1CCC2(CC1)Oc1ccccc1-n1cccc12
InChIInChI=1S/C16H18N2O/c1-17-11-8-16(9-12-17)15-7-4-10-18(15)13-5-2-3-6-14(13)19-16/h2-7,10H,8-9,11-12H2,1H3
InChIKeyFDUYQGGARKDILG-UHFFFAOYSA-N
XLogP2.79
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]?
The IUPAC name of 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine] (CID 58551391) is 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine].
What is the SMILES notation for 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]?
The canonical SMILES for 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine] is CN1CCC2(CC1)Oc1ccccc1-n1cccc12.
What is the InChIKey of 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]?
The InChIKey is FDUYQGGARKDILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-11-8-16(9-12-17)15-7-4-10-18(15)13-5-2-3-6-14(13)19-16/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]?
1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine] has a molecular weight of 254.33 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine] is sourced from PubChem (CID 58551391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).