1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C26H33Cl2N3O — CID 43917427

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCCCC2)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C26H33Cl2N3O/c27-24-10-9-22(25(28)15-24)18-31-13-5-8-23(19-31)26(32)29-16-20-6-4-7-21(14-20)17-30-11-2-1-3-12-30/h4,6-7,9-10,14-15,23H,1-3,5,8,11-13,16-19H2,(H,29,32)
InChIKeyQVBWRWLLWMSKPP-UHFFFAOYSA-N
MW474.48 g/mol
LogP5.51
Rot. Bonds7

About 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917427) has the molecular formula C26H33Cl2N3O and a molecular weight of 474.48 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43917427
Molecular FormulaC26H33Cl2N3O
Molecular Weight474.48 g/mol
Exact Mass473.20
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCCCC2)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C26H33Cl2N3O/c27-24-10-9-22(25(28)15-24)18-31-13-5-8-23(19-31)26(32)29-16-20-6-4-7-21(14-20)17-30-11-2-1-3-12-30/h4,6-7,9-10,14-15,23H,1-3,5,8,11-13,16-19H2,(H,29,32)
InChIKeyQVBWRWLLWMSKPP-UHFFFAOYSA-N
XLogP5.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133189340
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
1-[(2,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921064
1-[(2,4-dichlorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917689
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43917693
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 93490238
1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 43917427) is 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(CN2CCCCC2)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is QVBWRWLLWMSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl2N3O/c27-24-10-9-22(25(28)15-24)18-31-13-5-8-23(19-31)26(32)29-16-20-6-4-7-21(14-20)17-30-11-2-1-3-12-30/h4,6-7,9-10,14-15,23H,1-3,5,8,11-13,16-19H2,(H,29,32).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 5.51, 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-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).