1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide

C20H30Cl2N2O — CID 118726856

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H30Cl2N2O/c1-3-4-5-6-15(2)23-20(25)16-9-11-24(12-10-16)14-17-7-8-18(21)13-19(17)22/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,23,25)
InChIKeyOARQDACOFGAIIZ-UHFFFAOYSA-N
MW385.38 g/mol
LogP5.29
Rot. Bonds8

About 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide (PubChem CID 118726856) has the molecular formula C20H30Cl2N2O and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
PubChem CID118726856
Molecular FormulaC20H30Cl2N2O
Molecular Weight385.38 g/mol
Exact Mass384.17
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H30Cl2N2O/c1-3-4-5-6-15(2)23-20(25)16-9-11-24(12-10-16)14-17-7-8-18(21)13-19(17)22/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,23,25)
InChIKeyOARQDACOFGAIIZ-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-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

Diclocymet
CID 11527333
Uamc00039
CID 11232124
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
Gsk1370319A
CID 67461788
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide (CID 118726856) is 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide is CCCCCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
The InChIKey is OARQDACOFGAIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2N2O/c1-3-4-5-6-15(2)23-20(25)16-9-11-24(12-10-16)14-17-7-8-18(21)13-19(17)22/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 118726856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).