2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine

C22H32ClN3O — CID 143116457

IUPAC2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine
SMILESCC.Cc1ccc(C(=O)NCC2CCNC(C)C2)c(Cl)c1.c1ccncc1
InChIInChI=1S/C15H21ClN2O.C5H5N.C2H6/c1-10-3-4-13(14(16)7-10)15(19)18-9-12-5-6-17-11(2)8-12;1-2-4-6-5-3-1;1-2/h3-4,7,11-12,17H,5-6,8-9H2,1-2H3,(H,18,19);1-5H;1-2H3
InChIKeyBNZYWNNAYBLSPG-UHFFFAOYSA-N
MW389.97 g/mol
LogP4.87
Rot. Bonds3

About 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine

2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine (PubChem CID 143116457) has the molecular formula C22H32ClN3O and a molecular weight of 389.97 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine
PubChem CID143116457
Molecular FormulaC22H32ClN3O
Molecular Weight389.97 g/mol
Exact Mass389.22
IUPAC Name2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine
SMILESCC.Cc1ccc(C(=O)NCC2CCNC(C)C2)c(Cl)c1.c1ccncc1
InChIInChI=1S/C15H21ClN2O.C5H5N.C2H6/c1-10-3-4-13(14(16)7-10)15(19)18-9-12-5-6-17-11(2)8-12;1-2-4-6-5-3-1;1-2/h3-4,7,11-12,17H,5-6,8-9H2,1-2H3,(H,18,19);1-5H;1-2H3
InChIKeyBNZYWNNAYBLSPG-UHFFFAOYSA-N
XLogP4.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine?
The IUPAC name of 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine (CID 143116457) is 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine.
What is the SMILES notation for 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine?
The canonical SMILES for 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine is CC.Cc1ccc(C(=O)NCC2CCNC(C)C2)c(Cl)c1.c1ccncc1.
What is the InChIKey of 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine?
The InChIKey is BNZYWNNAYBLSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.C5H5N.C2H6/c1-10-3-4-13(14(16)7-10)15(19)18-9-12-5-6-17-11(2)8-12;1-2-4-6-5-3-1;1-2/h3-4,7,11-12,17H,5-6,8-9H2,1-2H3,(H,18,19);1-5H;1-2H3.
What are the key properties of 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine?
2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine has a molecular weight of 389.97 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[(2-methylpiperidin-4-yl)methyl]benzamide;ethane;pyridine is sourced from PubChem (CID 143116457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).