2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide

C24H38N4O2 — CID 110070847

IUPAC2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCC(=O)N1CCCCCCCN(CC(=O)NC2CCN(C)CC2)Cc2ccccc21
InChIInChI=1S/C24H38N4O2/c1-20(29)28-15-9-5-3-4-8-14-27(18-21-10-6-7-11-23(21)28)19-24(30)25-22-12-16-26(2)17-13-22/h6-7,10-11,22H,3-5,8-9,12-19H2,1-2H3,(H,25,30)
InChIKeyCQBRWTIKIBQLTD-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.02
Rot. Bonds3

About 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide

2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 110070847) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID110070847
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCC(=O)N1CCCCCCCN(CC(=O)NC2CCN(C)CC2)Cc2ccccc21
InChIInChI=1S/C24H38N4O2/c1-20(29)28-15-9-5-3-4-8-14-27(18-21-10-6-7-11-23(21)28)19-24(30)25-22-12-16-26(2)17-13-22/h6-7,10-11,22H,3-5,8-9,12-19H2,1-2H3,(H,25,30)
InChIKeyCQBRWTIKIBQLTD-UHFFFAOYSA-N
XLogP3.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110070822
2-[3-[2-acetyl-6-(2-methylpropyl)-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-9-carbonyl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
CID 133071909
1-[9-[(4-ethoxyphenyl)methyl]-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133067882
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-(1-methylpiperidin-4-yl)-3-oxo-3-phenylpropanamide
CID 110463372
2-[2-acetyl-6-[(4-fluorophenyl)methyl]-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 133072719
N-cyclopentyl-2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)acetamide
CID 110071121
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
1-[9-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133066302
1-[9-[[4-hydroxy-1-(2-methylphenyl)piperidin-4-yl]methyl]-2,9-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133073557

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide (CID 110070847) is 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide is CC(=O)N1CCCCCCCN(CC(=O)NC2CCN(C)CC2)Cc2ccccc21.
What is the InChIKey of 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is CQBRWTIKIBQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-20(29)28-15-9-5-3-4-8-14-27(18-21-10-6-7-11-23(21)28)19-24(30)25-22-12-16-26(2)17-13-22/h6-7,10-11,22H,3-5,8-9,12-19H2,1-2H3,(H,25,30).
What are the key properties of 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide?
2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 414.59 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-10-yl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110070847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).