3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide

C22H28N4O2 — CID 50843961

IUPAC3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)Nc1ccc(C(CC(=O)NCc2ccncc2)N2CCCCC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17(27)25-20-7-5-19(6-8-20)21(26-13-3-2-4-14-26)15-22(28)24-16-18-9-11-23-12-10-18/h5-12,21H,2-4,13-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyABTOGEXYMKUAOT-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.27
Rot. Bonds7

About 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide

3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 50843961) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID50843961
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)Nc1ccc(C(CC(=O)NCc2ccncc2)N2CCCCC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17(27)25-20-7-5-19(6-8-20)21(26-13-3-2-4-14-26)15-22(28)24-16-18-9-11-23-12-10-18/h5-12,21H,2-4,13-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyABTOGEXYMKUAOT-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213
N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
CID 47009041
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 41062254
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 42843458
2-(4-piperidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110648315
1-(pyridin-4-ylmethyl)-3-(4-pyrrolidin-1-ylsulfanylphenyl)urea
CID 135231531
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977040

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide (CID 50843961) is 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide is CC(=O)Nc1ccc(C(CC(=O)NCc2ccncc2)N2CCCCC2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ABTOGEXYMKUAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17(27)25-20-7-5-19(6-8-20)21(26-13-3-2-4-14-26)15-22(28)24-16-18-9-11-23-12-10-18/h5-12,21H,2-4,13-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide?
3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-3-piperidin-1-yl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 50843961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).