1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide

C29H39Cl2N3O — CID 171807760

IUPAC1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1cc(C2CN(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CCC(C(=O)N(C)CC(C)C)CC1
InChIInChI=1S/C29H39Cl2N3O/c1-19(2)15-32(5)29(35)22-9-11-33(12-10-22)18-25-20(3)13-23(14-21(25)4)24-16-34(17-24)28-26(30)7-6-8-27(28)31/h6-8,13-14,19,22,24H,9-12,15-18H2,1-5H3
InChIKeySELYNFUZZIEGAQ-UHFFFAOYSA-N
MW516.56 g/mol
LogP6.54
Rot. Bonds7

About 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide

1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 171807760) has the molecular formula C29H39Cl2N3O and a molecular weight of 516.56 g/mol. Its IUPAC name is 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID171807760
Molecular FormulaC29H39Cl2N3O
Molecular Weight516.56 g/mol
Exact Mass515.25
IUPAC Name1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1cc(C2CN(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CCC(C(=O)N(C)CC(C)C)CC1
InChIInChI=1S/C29H39Cl2N3O/c1-19(2)15-32(5)29(35)22-9-11-33(12-10-22)18-25-20(3)13-23(14-21(25)4)24-16-34(17-24)28-26(30)7-6-8-27(28)31/h6-8,13-14,19,22,24H,9-12,15-18H2,1-5H3
InChIKeySELYNFUZZIEGAQ-UHFFFAOYSA-N
XLogP6.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-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

1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-4-methylpiperidine
CID 167246756
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
CID 166534841
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]azetidine-3-carboxylate
CID 166534514
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524
1-[[2-chloro-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-6-methylphenyl]methyl]-3-methylazetidin-3-ol;formic acid
CID 175982105
1-[[4-[1-(2-cyclopropylphenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]piperidine-4-carboxylic acid;formic acid
CID 175535034
methyl 1-[[2-cyclopropyl-4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]piperidine-4-carboxylate
CID 166534542
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 166534947
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4-methyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534874
methyl 1-[[5-[1-(2,6-dichlorophenyl)azetidin-3-yl]-4,6-dimethyl-2-pyridinyl]methyl]piperidine-4-carboxylate
CID 166534649
carbanide;1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]benzene-2,6-diid-1-yl]methyl]piperidine-4-carboxylic acid;praseodymium
CID 166534504
1-[(4-chloro-2,6-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035800

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide (CID 171807760) is 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide is Cc1cc(C2CN(c3c(Cl)cccc3Cl)C2)cc(C)c1CN1CCC(C(=O)N(C)CC(C)C)CC1.
What is the InChIKey of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is SELYNFUZZIEGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39Cl2N3O/c1-19(2)15-32(5)29(35)22-9-11-33(12-10-22)18-25-20(3)13-23(14-21(25)4)24-16-34(17-24)28-26(30)7-6-8-27(28)31/h6-8,13-14,19,22,24H,9-12,15-18H2,1-5H3.
What are the key properties of 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 516.56 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2,6-dimethylphenyl]methyl]-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 171807760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).