N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C20H22Cl2N2O — CID 42647178

IUPACN-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C20H22Cl2N2O/c1-20(16-6-3-2-4-7-16)10-5-11-24(14-20)19(25)23-13-15-8-9-17(21)12-18(15)22/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,23,25)
InChIKeyMBEXSEUYYAPDIQ-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.26
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 42647178) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID42647178
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C20H22Cl2N2O/c1-20(16-6-3-2-4-7-16)10-5-11-24(14-20)19(25)23-13-15-8-9-17(21)12-18(15)22/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,23,25)
InChIKeyMBEXSEUYYAPDIQ-UHFFFAOYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 42647178) is N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is MBEXSEUYYAPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-20(16-6-3-2-4-7-16)10-5-11-24(14-20)19(25)23-13-15-8-9-17(21)12-18(15)22/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,23,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 42647178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).