N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide

C19H20Cl2N2O — CID 1069892

IUPACN-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)
InChIKeyOIDACLQVAGIDMT-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.39
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide

N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide (PubChem CID 1069892) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide
PubChem CID1069892
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24)
InChIKeyOIDACLQVAGIDMT-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide (CID 1069892) is N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide?
The InChIKey is OIDACLQVAGIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-15-6-7-17(18(21)12-15)19(24)22-16-8-10-23(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide?
N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide has a molecular weight of 363.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 1069892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).