1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

C27H34N4O3 — CID 108734862

IUPAC1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCC4(CC3)CC(=O)c3ccc(C)c(C)c3O4)CC2)n1
InChIInChI=1S/C27H34N4O3/c1-17-5-6-22-23(32)16-27(34-24(22)20(17)4)9-13-30(14-10-27)25(33)21-7-11-31(12-8-21)26-28-18(2)15-19(3)29-26/h5-6,15,21H,7-14,16H2,1-4H3
InChIKeyAXZSBVNOJDXFBW-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.95
Rot. Bonds2

About 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734862) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734862
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1cc(C)nc(N2CCC(C(=O)N3CCC4(CC3)CC(=O)c3ccc(C)c(C)c3O4)CC2)n1
InChIInChI=1S/C27H34N4O3/c1-17-5-6-22-23(32)16-27(34-24(22)20(17)4)9-13-30(14-10-27)25(33)21-7-11-31(12-8-21)26-28-18(2)15-19(3)29-26/h5-6,15,21H,7-14,16H2,1-4H3
InChIKeyAXZSBVNOJDXFBW-UHFFFAOYSA-N
XLogP3.95
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

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Related Compounds

1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740067
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735844
1'-[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734867
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
1'-(2-chloro-6-methylpyrimidin-4-yl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774557
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
N-cyclohexyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108781833
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108771663
N-ethyl-7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108781837
2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108758078
6-chloro-1'-(4,6-dimethylpyrimidin-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774696
4-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-3-nitrobenzenesulfonamide
CID 108774544

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734862) is 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1cc(C)nc(N2CCC(C(=O)N3CCC4(CC3)CC(=O)c3ccc(C)c(C)c3O4)CC2)n1.
What is the InChIKey of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is AXZSBVNOJDXFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-17-5-6-22-23(32)16-27(34-24(22)20(17)4)9-13-30(14-10-27)25(33)21-7-11-31(12-8-21)26-28-18(2)15-19(3)29-26/h5-6,15,21H,7-14,16H2,1-4H3.
What are the key properties of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 462.59 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).