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

C19H20Cl2N2O2 — CID 24748125

IUPACN-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-6-14(17(21)12-16)13-22-18(24)23-10-8-19(25,9-11-23)15-4-2-1-3-5-15/h1-7,12,25H,8-11,13H2,(H,22,24)
InChIKeyRNNHPTGHIKGYKZ-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.19
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide (PubChem CID 24748125) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
PubChem CID24748125
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-7-6-14(17(21)12-16)13-22-18(24)23-10-8-19(25,9-11-23)15-4-2-1-3-5-15/h1-7,12,25H,8-11,13H2,(H,22,24)
InChIKeyRNNHPTGHIKGYKZ-UHFFFAOYSA-N
XLogP4.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide (CID 24748125) is N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The InChIKey is RNNHPTGHIKGYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-7-6-14(17(21)12-16)13-22-18(24)23-10-8-19(25,9-11-23)15-4-2-1-3-5-15/h1-7,12,25H,8-11,13H2,(H,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 24748125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).