(11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C27H40N4O3 — CID 129420297

IUPAC(11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC1CCC(NC(=O)[C@@]2(C)Cn3c(cc4occc43)C(=O)N2CCCN2CCCC[C@H]2C)CC1
InChIInChI=1S/C27H40N4O3/c1-19-8-10-21(11-9-19)28-26(33)27(3)18-30-22-12-16-34-24(22)17-23(30)25(32)31(27)15-6-14-29-13-5-4-7-20(29)2/h12,16-17,19-21H,4-11,13-15,18H2,1-3H3,(H,28,33)/t19?,20-,21?,27-/m1/s1
InChIKeyIFKGYTUXZYXLRX-MTTGRASBSA-N
MW468.64 g/mol
LogP4.41
Rot. Bonds6

About (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 129420297) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID129420297
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name(11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC1CCC(NC(=O)[C@@]2(C)Cn3c(cc4occc43)C(=O)N2CCCN2CCCC[C@H]2C)CC1
InChIInChI=1S/C27H40N4O3/c1-19-8-10-21(11-9-19)28-26(33)27(3)18-30-22-12-16-34-24(22)17-23(30)25(32)31(27)15-6-14-29-13-5-4-7-20(29)2/h12,16-17,19-21H,4-11,13-15,18H2,1-3H3,(H,28,33)/t19?,20-,21?,27-/m1/s1
InChIKeyIFKGYTUXZYXLRX-MTTGRASBSA-N
XLogP4.41
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Related Compounds

(11R)-10-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420380
(11S)-10-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737821
N-cyclohexyl-11-methyl-9-oxo-10-(3-piperidin-1-ylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756455
(11S)-10-(2-methoxyethyl)-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737762
(11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737568
(11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737752
N-cyclooctyl-11-methyl-9-oxo-10-(2-pyrrolidin-1-ylethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521864
N-cycloheptyl-10-[3-(dipropylamino)propyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272302
(11S)-N-cycloheptyl-10-(3-ethoxypropyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721417
N-cyclohexyl-11-methyl-10-[3-(2-methylpiperidin-1-yl)propyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46271468
N-cycloheptyl-10-[3-[cyclohexyl(methyl)amino]propyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46272306
N-cyclohexyl-10-[3-[cyclohexyl(methyl)amino]propyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756471

Frequently Asked Questions

What is the IUPAC name of (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 129420297) is (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1CCC(NC(=O)[C@@]2(C)Cn3c(cc4occc43)C(=O)N2CCCN2CCCC[C@H]2C)CC1.
What is the InChIKey of (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is IFKGYTUXZYXLRX-MTTGRASBSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-19-8-10-21(11-9-19)28-26(33)27(3)18-30-22-12-16-34-24(22)17-23(30)25(32)31(27)15-6-14-29-13-5-4-7-20(29)2/h12,16-17,19-21H,4-11,13-15,18H2,1-3H3,(H,28,33)/t19?,20-,21?,27-/m1/s1.
What are the key properties of (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
(11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 468.64 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-methyl-N-(4-methylcyclohexyl)-10-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 129420297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).