2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide

C22H28N4O2 — CID 108963754

IUPAC2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2,20(27)24-16-17-10-12-23-13-11-17)21(28)25-18-6-8-19(9-7-18)26-14-4-3-5-15-26/h6-13H,3-5,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYKAJTLJUVZTAOI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds6

About 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide

2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963754) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963754
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H28N4O2/c1-22(2,20(27)24-16-17-10-12-23-13-11-17)21(28)25-18-6-8-19(9-7-18)26-14-4-3-5-15-26/h6-13H,3-5,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYKAJTLJUVZTAOI-UHFFFAOYSA-N
XLogP3.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963689
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 108963654
2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963759
2,2-dimethyl-N-(4-propan-2-yloxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963735

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963754) is 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide is CC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is YKAJTLJUVZTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,20(27)24-16-17-10-12-23-13-11-17)21(28)25-18-6-8-19(9-7-18)26-14-4-3-5-15-26/h6-13H,3-5,14-16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide?
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).