(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

C28H42N4O3 — CID 92737821

IUPAC(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
SMILESCC[C@H]1CCCCN1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C28H42N4O3/c1-4-22-8-5-6-14-30(22)15-7-16-32-26(33)24-18-25-23(13-17-35-25)31(24)19-28(32,3)27(34)29-21-11-9-20(2)10-12-21/h13,17-18,20-22H,4-12,14-16,19H2,1-3H3,(H,29,34)/t20?,21?,22-,28-/m0/s1
InChIKeyPZKXVMUUWQJJGR-ADGLOZSKSA-N
MW482.67 g/mol
LogP4.80
Rot. Bonds7

About (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

(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 (PubChem CID 92737821) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92737821
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name(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
SMILESCC[C@H]1CCCCN1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C28H42N4O3/c1-4-22-8-5-6-14-30(22)15-7-16-32-26(33)24-18-25-23(13-17-35-25)31(24)19-28(32,3)27(34)29-21-11-9-20(2)10-12-21/h13,17-18,20-22H,4-12,14-16,19H2,1-3H3,(H,29,34)/t20?,21?,22-,28-/m0/s1
InChIKeyPZKXVMUUWQJJGR-ADGLOZSKSA-N
XLogP4.80
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 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

(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
N-cyclooctyl-10-[3-(2-ethylpiperidin-1-yl)propyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521860
(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
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
(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
(3S)-N-cyclohexyl-2-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704104
(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
(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-cycloheptyl-10-[3-(2-ethylpiperidin-1-yl)propyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756291

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@H]1CCCCN1CCCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (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?
The InChIKey is PZKXVMUUWQJJGR-ADGLOZSKSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-4-22-8-5-6-14-30(22)15-7-16-32-26(33)24-18-25-23(13-17-35-25)31(24)19-28(32,3)27(34)29-21-11-9-20(2)10-12-21/h13,17-18,20-22H,4-12,14-16,19H2,1-3H3,(H,29,34)/t20?,21?,22-,28-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 482.67 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92737821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).