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

C26H32N4O4 — CID 108735844

IUPAC1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC1)CC2=O
InChIInChI=1S/C26H32N4O4/c1-17-14-18(2)28-25(27-17)30-10-6-19(7-11-30)24(32)29-12-8-26(9-13-29)16-22(31)21-5-4-20(33-3)15-23(21)34-26/h4-5,14-15,19H,6-13,16H2,1-3H3
InChIKeyXNJACUJVPDVWQN-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.35
Rot. Bonds3

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

1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735844) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735844
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC1)CC2=O
InChIInChI=1S/C26H32N4O4/c1-17-14-18(2)28-25(27-17)30-10-6-19(7-11-30)24(32)29-12-8-26(9-13-29)16-22(31)21-5-4-20(33-3)15-23(21)34-26/h4-5,14-15,19H,6-13,16H2,1-3H3
InChIKeyXNJACUJVPDVWQN-UHFFFAOYSA-N
XLogP3.35
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734862
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809874
1'-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810220
1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774874
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-(1,3-benzoxazol-2-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774866
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735844) is 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC1)CC2=O.
What is the InChIKey of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is XNJACUJVPDVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-14-18(2)28-25(27-17)30-10-6-19(7-11-30)24(32)29-12-8-26(9-13-29)16-22(31)21-5-4-20(33-3)15-23(21)34-26/h4-5,14-15,19H,6-13,16H2,1-3H3.
What are the key properties of 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 464.57 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).