4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide

C17H20ClFN4O2 — CID 134411420

IUPAC4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2(C)[C@H](O)c3c(F)c(Cl)cc4cnn2c34)CC1
InChIInChI=1S/C17H20ClFN4O2/c1-17(10-3-5-22(6-4-10)16(25)20-2)15(24)12-13(19)11(18)7-9-8-21-23(17)14(9)12/h7-8,10,15,24H,3-6H2,1-2H3,(H,20,25)/t15-,17?/m1/s1
InChIKeyBTJXUYCNOBIQDF-LDCVWXEPSA-N
MW366.82 g/mol
LogP2.64
Rot. Bonds1

About 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide

4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 134411420) has the molecular formula C17H20ClFN4O2 and a molecular weight of 366.82 g/mol. Its IUPAC name is 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide
PubChem CID134411420
Molecular FormulaC17H20ClFN4O2
Molecular Weight366.82 g/mol
Exact Mass366.13
IUPAC Name4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2(C)[C@H](O)c3c(F)c(Cl)cc4cnn2c34)CC1
InChIInChI=1S/C17H20ClFN4O2/c1-17(10-3-5-22(6-4-10)16(25)20-2)15(24)12-13(19)11(18)7-9-8-21-23(17)14(9)12/h7-8,10,15,24H,3-6H2,1-2H3,(H,20,25)/t15-,17?/m1/s1
InChIKeyBTJXUYCNOBIQDF-LDCVWXEPSA-N
XLogP2.64
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 134411463
4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 134411444
4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]-N-(1-cyanocyclopropyl)piperidine-1-carboxamide
CID 134411416
4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]-N-(pyrimidin-2-ylmethyl)piperidine-1-carboxamide
CID 139547969
4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 134411449
1-[4-[(6R)-9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl]piperidin-1-yl]-2-cyclopropylethanone
CID 134411561
4-(9-chloro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-5-yl)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 134411442
9-chloro-5-cyclobutyl-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-6-ol
CID 134411379
4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910199
N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide
CID 19762454
N-methyl-4-[1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921382
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide (CID 134411420) is 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C2(C)[C@H](O)c3c(F)c(Cl)cc4cnn2c34)CC1.
What is the InChIKey of 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is BTJXUYCNOBIQDF-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H20ClFN4O2/c1-17(10-3-5-22(6-4-10)16(25)20-2)15(24)12-13(19)11(18)7-9-8-21-23(17)14(9)12/h7-8,10,15,24H,3-6H2,1-2H3,(H,20,25)/t15-,17?/m1/s1.
What are the key properties of 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide?
4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 366.82 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-9-chloro-8-fluoro-6-hydroxy-5-methyl-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-5-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 134411420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).