1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide

C18H26Cl2N2O — CID 100569696

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H26Cl2N2O/c1-12(2)13(3)21-18(23)14-6-8-22(9-7-14)11-15-4-5-16(19)10-17(15)20/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyGFZNWUPQCRTSPY-ZDUSSCGKSA-N
MW357.33 g/mol
LogP4.37
Rot. Bonds5

About 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 100569696) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
PubChem CID100569696
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
SMILESCC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H26Cl2N2O/c1-12(2)13(3)21-18(23)14-6-8-22(9-7-14)11-15-4-5-16(19)10-17(15)20/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,21,23)/t13-/m0/s1
InChIKeyGFZNWUPQCRTSPY-ZDUSSCGKSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025099
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 94024957
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
N-[3-(4-chlorophenyl)propyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 46773378
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(4-chloro-2-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 100689176
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide (CID 100569696) is 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide is CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is GFZNWUPQCRTSPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-12(2)13(3)21-18(23)14-6-8-22(9-7-14)11-15-4-5-16(19)10-17(15)20/h4-5,10,12-14H,6-9,11H2,1-3H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 357.33 g/mol, XLogP of 4.37, 5 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-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100569696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).