N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide

C23H29N3O2 — CID 108946159

IUPACN'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
SMILESCC1CCN(c2ccc(NC(=O)CC(=O)N(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-18-12-14-26(15-13-18)21-10-8-20(9-11-21)24-22(27)16-23(28)25(2)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyCUDVSEZTSUXBPO-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds6

About N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide

N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide (PubChem CID 108946159) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
PubChem CID108946159
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
SMILESCC1CCN(c2ccc(NC(=O)CC(=O)N(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-18-12-14-26(15-13-18)21-10-8-20(9-11-21)24-22(27)16-23(28)25(2)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyCUDVSEZTSUXBPO-UHFFFAOYSA-N
XLogP3.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 108999041
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
methyl 4-[[3-[benzyl(methyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108946152
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
CID 108956522
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
The IUPAC name of N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide (CID 108946159) is N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide is CC1CCN(c2ccc(NC(=O)CC(=O)N(C)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
The InChIKey is CUDVSEZTSUXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-12-14-26(15-13-18)21-10-8-20(9-11-21)24-22(27)16-23(28)25(2)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27).
What are the key properties of N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide has a molecular weight of 379.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide is sourced from PubChem (CID 108946159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).