methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

C24H32N4O3 — CID 178145316

IUPACmethyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc([C@@H]3CCNC(C)(C)C3)n(C)c12
InChIInChI=1S/C24H32N4O3/c1-23(2)15-16(9-12-25-23)21-26-19-17-7-5-6-8-18(17)31-24(20(19)27(21)3)10-13-28(14-11-24)22(29)30-4/h5-8,16,25H,9-15H2,1-4H3/t16-/m1/s1
InChIKeyBSAZDULEBQYHAI-MRXNPFEDSA-N
MW424.55 g/mol
LogP3.78
Rot. Bonds1

About methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate

methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (PubChem CID 178145316) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
PubChem CID178145316
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Namemethyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
SMILESCOC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc([C@@H]3CCNC(C)(C)C3)n(C)c12
InChIInChI=1S/C24H32N4O3/c1-23(2)15-16(9-12-25-23)21-26-19-17-7-5-6-8-18(17)31-24(20(19)27(21)3)10-13-28(14-11-24)22(29)30-4/h5-8,16,25H,9-15H2,1-4H3/t16-/m1/s1
InChIKeyBSAZDULEBQYHAI-MRXNPFEDSA-N
XLogP3.78
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The IUPAC name of methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate (CID 178145316) is methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The canonical SMILES for methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is COC(=O)N1CCC2(CC1)Oc1ccccc1-c1nc([C@@H]3CCNC(C)(C)C3)n(C)c12.
What is the InChIKey of methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
The InChIKey is BSAZDULEBQYHAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-23(2)15-16(9-12-25-23)21-26-19-17-7-5-6-8-18(17)31-24(20(19)27(21)3)10-13-28(14-11-24)22(29)30-4/h5-8,16,25H,9-15H2,1-4H3/t16-/m1/s1.
What are the key properties of methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate?
methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate has a molecular weight of 424.55 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-2,2-dimethylpiperidin-4-yl]-3-methylspiro[chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).