1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide

C20H21Cl3N2O — CID 45007317

IUPAC1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl3N2O/c1-13-4-2-3-5-15(13)12-25-8-6-14(7-9-25)20(26)24-19-11-17(22)16(21)10-18(19)23/h2-5,10-11,14H,6-9,12H2,1H3,(H,24,26)
InChIKeyCWMQEIXMPGVWNS-UHFFFAOYSA-N
MW411.76 g/mol
LogP5.81
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide

1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (PubChem CID 45007317) has the molecular formula C20H21Cl3N2O and a molecular weight of 411.76 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
PubChem CID45007317
Molecular FormulaC20H21Cl3N2O
Molecular Weight411.76 g/mol
Exact Mass410.07
IUPAC Name1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C20H21Cl3N2O/c1-13-4-2-3-5-15(13)12-25-8-6-14(7-9-25)20(26)24-19-11-17(22)16(21)10-18(19)23/h2-5,10-11,14H,6-9,12H2,1H3,(H,24,26)
InChIKeyCWMQEIXMPGVWNS-UHFFFAOYSA-N
XLogP5.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.76
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 45012369
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
1-[(2-chlorophenyl)methyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 45009186
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
ethyl 2-chloro-4-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 46777127
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
1-[(2-chlorophenyl)methyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 46776827
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide (CID 45007317) is 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is Cc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
The InChIKey is CWMQEIXMPGVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O/c1-13-4-2-3-5-15(13)12-25-8-6-14(7-9-25)20(26)24-19-11-17(22)16(21)10-18(19)23/h2-5,10-11,14H,6-9,12H2,1H3,(H,24,26).
What are the key properties of 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide?
1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide has a molecular weight of 411.76 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45007317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).