1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide

C22H26Cl2N2O — CID 44528936

IUPAC1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H26Cl2N2O/c1-2-12-25-22(27)17-10-13-26(14-11-17)21(16-6-4-3-5-7-16)18-8-9-19(23)20(24)15-18/h3-9,15,17,21H,2,10-14H2,1H3,(H,25,27)
InChIKeyVBCJXUGGEYFONR-UHFFFAOYSA-N
MW405.37 g/mol
LogP5.32
Rot. Bonds6

About 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide

1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide (PubChem CID 44528936) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide
PubChem CID44528936
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H26Cl2N2O/c1-2-12-25-22(27)17-10-13-26(14-11-17)21(16-6-4-3-5-7-16)18-8-9-19(23)20(24)15-18/h3-9,15,17,21H,2,10-14H2,1H3,(H,25,27)
InChIKeyVBCJXUGGEYFONR-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4598691
1-[2-(dimethylamino)-2-oxo-1-phenylethyl]-N-propylpiperidine-4-carboxamide
CID 134046466
1-[(3,4-dichlorophenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5030410
1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 3992760
1-[(3,4-dichlorophenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3912744
N-butyl-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 95158904
N-butyl-1-[(2S)-1-(3,4-dichloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 37211402
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
1-[(3-chlorophenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid
CID 3954071
N-(4-benzhydrylpiperazin-1-yl)-1-butanoylpiperidine-4-carboxamide
CID 87025726
1-benzhydryl-N-octylpiperidine-3-carboxamide
CID 58022649
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide (CID 44528936) is 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is VBCJXUGGEYFONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-2-12-25-22(27)17-10-13-26(14-11-17)21(16-6-4-3-5-7-16)18-8-9-19(23)20(24)15-18/h3-9,15,17,21H,2,10-14H2,1H3,(H,25,27).
What are the key properties of 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide?
1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 405.37 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-phenylmethyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 44528936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).