3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide

C23H31N3O — CID 74248989

IUPAC3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-25(2)18-19-7-6-10-22(17-19)23(27)24-13-16-26-14-11-21(12-15-26)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3,(H,24,27)
InChIKeyLYPWWVXJPVUFFL-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.36
Rot. Bonds7

About 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide

3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide (PubChem CID 74248989) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
PubChem CID74248989
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
SMILESCN(C)Cc1cccc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O/c1-25(2)18-19-7-6-10-22(17-19)23(27)24-13-16-26-14-11-21(12-15-26)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3,(H,24,27)
InChIKeyLYPWWVXJPVUFFL-UHFFFAOYSA-N
XLogP3.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide (CID 74248989) is 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide is CN(C)Cc1cccc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is LYPWWVXJPVUFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-25(2)18-19-7-6-10-22(17-19)23(27)24-13-16-26-14-11-21(12-15-26)20-8-4-3-5-9-20/h3-10,17,21H,11-16,18H2,1-2H3,(H,24,27).
What are the key properties of 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide?
3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 365.52 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 74248989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).