N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide

C28H34N2O4 — CID 108734929

IUPACN-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)CCCCCNC(=O)c3ccccc3)CC1)O2
InChIInChI=1S/C28H34N2O4/c1-20-17-23-24(31)19-28(34-25(23)18-21(20)2)12-15-30(16-13-28)26(32)11-7-4-8-14-29-27(33)22-9-5-3-6-10-22/h3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,29,33)
InChIKeyOSBUQSSZTVPGQC-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.62
Rot. Bonds7

About N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide

N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide (PubChem CID 108734929) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide.

Molecular Properties

Compound NameN-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide
PubChem CID108734929
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC NameN-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide
SMILESCc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)CCCCCNC(=O)c3ccccc3)CC1)O2
InChIInChI=1S/C28H34N2O4/c1-20-17-23-24(31)19-28(34-25(23)18-21(20)2)12-15-30(16-13-28)26(32)11-7-4-8-14-29-27(33)22-9-5-3-6-10-22/h3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,29,33)
InChIKeyOSBUQSSZTVPGQC-UHFFFAOYSA-N
XLogP4.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-oxobutyl]isoindole-1,3-dione
CID 108758208
N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
CID 108758056
6-chloro-7-methyl-1'-(3-phenylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735333
1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione
CID 108735305
1'-[2-(2-methoxyethoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734952
1-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726194
6,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758259
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
1'-[2-(3,4-dimethoxyphenyl)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734966
1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726326
6-chloro-1'-[4-(4-methoxyphenoxy)butanoyl]-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758509

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide?
The IUPAC name of N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide (CID 108734929) is N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide.
What is the SMILES notation for N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide?
The canonical SMILES for N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide is Cc1cc2c(cc1C)C(=O)CC1(CCN(C(=O)CCCCCNC(=O)c3ccccc3)CC1)O2.
What is the InChIKey of N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide?
The InChIKey is OSBUQSSZTVPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-20-17-23-24(31)19-28(34-25(23)18-21(20)2)12-15-30(16-13-28)26(32)11-7-4-8-14-29-27(33)22-9-5-3-6-10-22/h3,5-6,9-10,17-18H,4,7-8,11-16,19H2,1-2H3,(H,29,33).
What are the key properties of N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide?
N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-6-oxohexyl]benzamide is sourced from PubChem (CID 108734929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).