N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide

C23H29N3O2 — CID 108947396

IUPACN'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-25(18-19-9-5-3-6-10-19)23(28)17-22(27)24-20-11-13-21(14-12-20)26-15-7-4-8-16-26/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,24,27)
InChIKeyKZNGMKJJEYLQGN-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.05
Rot. Bonds7

About N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide

N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide (PubChem CID 108947396) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
PubChem CID108947396
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-25(18-19-9-5-3-6-10-19)23(28)17-22(27)24-20-11-13-21(14-12-20)26-15-7-4-8-16-26/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,24,27)
InChIKeyKZNGMKJJEYLQGN-UHFFFAOYSA-N
XLogP4.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.05
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

N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953212
N'-benzyl-N-(4-tert-butylphenyl)-N'-ethylpropanediamide
CID 108947354
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 108999041
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108947398

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide?
The IUPAC name of N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide (CID 108947396) is N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide?
The InChIKey is KZNGMKJJEYLQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-25(18-19-9-5-3-6-10-19)23(28)17-22(27)24-20-11-13-21(14-12-20)26-15-7-4-8-16-26/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3,(H,24,27).
What are the key properties of N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide?
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide has a molecular weight of 379.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108947396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).