6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one

C20H23N5O2 — CID 3274715

IUPAC6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
SMILES[H]/N=c1/c(C(=O)N2CCC(C)CC2)cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C20H23N5O2/c1-12-6-9-24(10-7-12)19(26)14-11-15-18(23(3)16(14)21)22-17-13(2)5-4-8-25(17)20(15)27/h4-5,8,11-12,21H,6-7,9-10H2,1-3H3/b21-16-
InChIKeyRPDUNPLPJWDOAT-PGMHBOJBSA-N
MW365.44 g/mol
LogP1.85
Rot. Bonds1

About 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one

6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one (PubChem CID 3274715) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.

Molecular Properties

Compound Name6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
PubChem CID3274715
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
SMILES[H]/N=c1/c(C(=O)N2CCC(C)CC2)cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C20H23N5O2/c1-12-6-9-24(10-7-12)19(26)14-11-15-18(23(3)16(14)21)22-17-13(2)5-4-8-25(17)20(15)27/h4-5,8,11-12,21H,6-7,9-10H2,1-3H3/b21-16-
InChIKeyRPDUNPLPJWDOAT-PGMHBOJBSA-N
XLogP1.85
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The IUPAC name of 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one (CID 3274715) is 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
What is the SMILES notation for 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The canonical SMILES for 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one is [H]/N=c1/c(C(=O)N2CCC(C)CC2)cc2c(=O)n3cccc(C)c3nc2n1C.
What is the InChIKey of 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one?
The InChIKey is RPDUNPLPJWDOAT-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-6-9-24(10-7-12)19(26)14-11-15-18(23(3)16(14)21)22-17-13(2)5-4-8-25(17)20(15)27/h4-5,8,11-12,21H,6-7,9-10H2,1-3H3/b21-16-.
What are the key properties of 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one?
6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-7,11-dimethyl-5-(4-methylpiperidine-1-carbonyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one is sourced from PubChem (CID 3274715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).