1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

C24H30Cl2N2O2 — CID 133162092

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H30Cl2N2O2/c1-4-22(18-6-8-23(30-3)16(2)13-18)27-24(29)17-9-11-28(12-10-17)15-19-5-7-20(25)14-21(19)26/h5-8,13-14,17,22H,4,9-12,15H2,1-3H3,(H,27,29)
InChIKeySRAYBBBCNHHCQF-UHFFFAOYSA-N
MW449.42 g/mol
LogP5.79
Rot. Bonds7

About 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 133162092) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
PubChem CID133162092
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1
InChIInChI=1S/C24H30Cl2N2O2/c1-4-22(18-6-8-23(30-3)16(2)13-18)27-24(29)17-9-11-28(12-10-17)15-19-5-7-20(25)14-21(19)26/h5-8,13-14,17,22H,4,9-12,15H2,1-3H3,(H,27,29)
InChIKeySRAYBBBCNHHCQF-UHFFFAOYSA-N
XLogP5.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 100689756
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 94024957
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 46766819
1-[(2-chlorophenyl)methylsulfonyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 133184823
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
N-[1-(3,4-dimethylphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766706
1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 100730031
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039
1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100569696
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 43928078
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025099

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide (CID 133162092) is 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is SRAYBBBCNHHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-4-22(18-6-8-23(30-3)16(2)13-18)27-24(29)17-9-11-28(12-10-17)15-19-5-7-20(25)14-21(19)26/h5-8,13-14,17,22H,4,9-12,15H2,1-3H3,(H,27,29).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 449.42 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 133162092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).