3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C22H29N3O — CID 24551926

IUPAC3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C22H29N3O/c1-23(2)21-9-7-8-19(16-21)22(26)24(3)17-18-10-12-20(13-11-18)25-14-5-4-6-15-25/h7-13,16H,4-6,14-15,17H2,1-3H3
InChIKeyTYMKIVXCILPZPD-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.02
Rot. Bonds5

About 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 24551926) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID24551926
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C22H29N3O/c1-23(2)21-9-7-8-19(16-21)22(26)24(3)17-18-10-12-20(13-11-18)25-14-5-4-6-15-25/h7-13,16H,4-6,14-15,17H2,1-3H3
InChIKeyTYMKIVXCILPZPD-UHFFFAOYSA-N
XLogP4.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
N-methyl-1,4-dioxo-N-[(4-piperidin-1-ylphenyl)methyl]-2,3-dihydrophthalazine-6-carboxamide
CID 25391675
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 31661125
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
N-methyl-3-(methylsulfonylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 26973012
N-methyl-12-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 34470728
N-methyl-3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 46699417
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 24551926) is 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is TYMKIVXCILPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-23(2)21-9-7-8-19(16-21)22(26)24(3)17-18-10-12-20(13-11-18)25-14-5-4-6-15-25/h7-13,16H,4-6,14-15,17H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 24551926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).