2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C22H28N4O2 — CID 113163901

IUPAC2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Cc1ccncc1
InChIInChI=1S/C22H28N4O2/c1-17-9-13-25(14-10-17)21-5-3-20(4-6-21)24-22(28)16-26(18(2)27)15-19-7-11-23-12-8-19/h3-8,11-12,17H,9-10,13-16H2,1-2H3,(H,24,28)
InChIKeyLJRFKNUOVAVZGS-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.31
Rot. Bonds6

About 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 113163901) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID113163901
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Cc1ccncc1
InChIInChI=1S/C22H28N4O2/c1-17-9-13-25(14-10-17)21-5-3-20(4-6-21)24-22(28)16-26(18(2)27)15-19-7-11-23-12-8-19/h3-8,11-12,17H,9-10,13-16H2,1-2H3,(H,24,28)
InChIKeyLJRFKNUOVAVZGS-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113120493
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
4-[4-[[2-[acetyl(benzyl)amino]acetyl]amino]phenyl]-N-cyclohexylpiperazine-1-carboxamide
CID 42676680
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113163325

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 113163901) is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Cc1ccncc1.
What is the InChIKey of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is LJRFKNUOVAVZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-9-13-25(14-10-17)21-5-3-20(4-6-21)24-22(28)16-26(18(2)27)15-19-7-11-23-12-8-19/h3-8,11-12,17H,9-10,13-16H2,1-2H3,(H,24,28).
What are the key properties of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113163901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).