1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C23H24N4O4 — CID 46973228

IUPAC1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C(C)n3nnc4ccccc43)CC1)CC2=O
InChIInChI=1S/C23H24N4O4/c1-15(27-19-6-4-3-5-18(19)24-25-27)22(29)26-11-9-23(10-12-26)14-20(28)17-8-7-16(30-2)13-21(17)31-23/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyIVISTCCVOWPWCV-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.03
Rot. Bonds3

About 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 46973228) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID46973228
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C(C)n3nnc4ccccc43)CC1)CC2=O
InChIInChI=1S/C23H24N4O4/c1-15(27-19-6-4-3-5-18(19)24-25-27)22(29)26-11-9-23(10-12-26)14-20(28)17-8-7-16(30-2)13-21(17)31-23/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyIVISTCCVOWPWCV-UHFFFAOYSA-N
XLogP3.03
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 46973228) is 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(C(=O)C(C)n3nnc4ccccc43)CC1)CC2=O.
What is the InChIKey of 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is IVISTCCVOWPWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(27-19-6-4-3-5-18(19)24-25-27)22(29)26-11-9-23(10-12-26)14-20(28)17-8-7-16(30-2)13-21(17)31-23/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 420.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(benzotriazol-1-yl)propanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 46973228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).