2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide

C28H32N6O2 — CID 70954715

IUPAC2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide
SMILESCC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(C)c(n2)N3)CC1
InChIInChI=1S/C28H32N6O2/c1-18-17-29-28-31-23-5-3-4-20(14-23)6-7-22-16-24(30-27(18)33-28)8-9-25(22)32-26(36)15-21-10-12-34(13-11-21)19(2)35/h3-5,8-9,14,16-17,21H,6-7,10-13,15H2,1-2H3,(H,32,36)(H2,29,30,31,33)
InChIKeyBXAPMPYXAYSYML-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.96
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide

2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide (PubChem CID 70954715) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide
PubChem CID70954715
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide
SMILESCC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(C)c(n2)N3)CC1
InChIInChI=1S/C28H32N6O2/c1-18-17-29-28-31-23-5-3-4-20(14-23)6-7-22-16-24(30-27(18)33-28)8-9-25(22)32-26(36)15-21-10-12-34(13-11-21)19(2)35/h3-5,8-9,14,16-17,21H,6-7,10-13,15H2,1-2H3,(H,32,36)(H2,29,30,31,33)
InChIKeyBXAPMPYXAYSYML-UHFFFAOYSA-N
XLogP4.96
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide (CID 70954715) is 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide is CC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(C)c(n2)N3)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide?
The InChIKey is BXAPMPYXAYSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-18-17-29-28-31-23-5-3-4-20(14-23)6-7-22-16-24(30-27(18)33-28)8-9-25(22)32-26(36)15-21-10-12-34(13-11-21)19(2)35/h3-5,8-9,14,16-17,21H,6-7,10-13,15H2,1-2H3,(H,32,36)(H2,29,30,31,33).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide?
2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide has a molecular weight of 484.60 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-(6-methyl-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3,5,7(22),9(21),10,12,16(20),17-nonaen-12-yl)acetamide is sourced from PubChem (CID 70954715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).