N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide

C24H31N3O2 — CID 108961621

IUPACN-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
SMILESCC1CCN(c2ccc(NC(=O)C(C)(C)C(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-18-13-15-27(16-14-18)21-11-9-20(10-12-21)26-23(29)24(2,3)22(28)25-17-19-7-5-4-6-8-19/h4-12,18H,13-17H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGMWWVLJRXFJNLS-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.20
Rot. Bonds6

About N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide

N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide (PubChem CID 108961621) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
PubChem CID108961621
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
SMILESCC1CCN(c2ccc(NC(=O)C(C)(C)C(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-18-13-15-27(16-14-18)21-11-9-20(10-12-21)26-23(29)24(2,3)22(28)25-17-19-7-5-4-6-8-19/h4-12,18H,13-17H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyGMWWVLJRXFJNLS-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
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

2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide (CID 108961621) is N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide is CC1CCN(c2ccc(NC(=O)C(C)(C)C(=O)NCc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
The InChIKey is GMWWVLJRXFJNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-13-15-27(16-14-18)21-11-9-20(10-12-21)26-23(29)24(2,3)22(28)25-17-19-7-5-4-6-8-19/h4-12,18H,13-17H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide?
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide has a molecular weight of 393.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide is sourced from PubChem (CID 108961621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).