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

C19H25ClN4O2 — CID 134411463

IUPAC4-[(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
SMILESCC(C)NC(=O)N1CCC(C2(C)[C@H](O)c3cc(Cl)cc4cnn2c34)CC1
InChIInChI=1S/C19H25ClN4O2/c1-11(2)22-18(26)23-6-4-13(5-7-23)19(3)17(25)15-9-14(20)8-12-10-21-24(19)16(12)15/h8-11,13,17,25H,4-7H2,1-3H3,(H,22,26)/t17-,19?/m1/s1
InChIKeyDLPWKLDLQCDQKX-DUSLRRAJSA-N
MW376.89 g/mol
LogP3.28
Rot. Bonds2

About 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

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 (PubChem CID 134411463) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID134411463
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-[(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
SMILESCC(C)NC(=O)N1CCC(C2(C)[C@H](O)c3cc(Cl)cc4cnn2c34)CC1
InChIInChI=1S/C19H25ClN4O2/c1-11(2)22-18(26)23-6-4-13(5-7-23)19(3)17(25)15-9-14(20)8-12-10-21-24(19)16(12)15/h8-11,13,17,25H,4-7H2,1-3H3,(H,22,26)/t17-,19?/m1/s1
InChIKeyDLPWKLDLQCDQKX-DUSLRRAJSA-N
XLogP3.28
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 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

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-[[(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
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-[(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-(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
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
4-[6-cyclopropyl-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42675789
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)N1CCC(C2(C)[C@H](O)c3cc(Cl)cc4cnn2c34)CC1.
What is the InChIKey of 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?
The InChIKey is DLPWKLDLQCDQKX-DUSLRRAJSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-11(2)22-18(26)23-6-4-13(5-7-23)19(3)17(25)15-9-14(20)8-12-10-21-24(19)16(12)15/h8-11,13,17,25H,4-7H2,1-3H3,(H,22,26)/t17-,19?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 376.89 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134411463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).