N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide

C20H22Cl2N2O2 — CID 22396173

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C20H22Cl2N2O2/c21-18-6-3-15(11-19(18)22)12-24-9-7-17(8-10-24)23-20(26)16-4-1-14(13-25)2-5-16/h1-6,11,17,25H,7-10,12-13H2,(H,23,26)
InChIKeyCCPXUHCJPRQGJF-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.88
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide (PubChem CID 22396173) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide
PubChem CID22396173
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C20H22Cl2N2O2/c21-18-6-3-15(11-19(18)22)12-24-9-7-17(8-10-24)23-20(26)16-4-1-14(13-25)2-5-16/h1-6,11,17,25H,7-10,12-13H2,(H,23,26)
InChIKeyCCPXUHCJPRQGJF-UHFFFAOYSA-N
XLogP3.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide (CID 22396173) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide is O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(CO)cc1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide?
The InChIKey is CCPXUHCJPRQGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-18-6-3-15(11-19(18)22)12-24-9-7-17(8-10-24)23-20(26)16-4-1-14(13-25)2-5-16/h1-6,11,17,25H,7-10,12-13H2,(H,23,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide has a molecular weight of 393.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 22396173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).