2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide

C25H34N2O2 — CID 156754623

IUPAC2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide
SMILESCC(=O)N1CCC(CC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1
InChIInChI=1S/C25H34N2O2/c1-17(28)27-9-7-18(8-10-27)11-23(29)26-25-14-19-12-24(2,16-25)13-20(15-25)22-6-4-3-5-21(19)22/h3-6,18-20H,7-16H2,1-2H3,(H,26,29)
InChIKeyBUEXCQGRGKBLRB-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.36
Rot. Bonds3

About 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide

2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide (PubChem CID 156754623) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide
PubChem CID156754623
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide
SMILESCC(=O)N1CCC(CC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1
InChIInChI=1S/C25H34N2O2/c1-17(28)27-9-7-18(8-10-27)11-23(29)26-25-14-19-12-24(2,16-25)13-20(15-25)22-6-4-3-5-21(19)22/h3-6,18-20H,7-16H2,1-2H3,(H,26,29)
InChIKeyBUEXCQGRGKBLRB-UHFFFAOYSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea
CID 156754670
2-(1-acetylpiperidin-4-yl)-N-(4-phenyl-2-pyridinyl)acetamide
CID 58442951
2-(1-acetylpiperidin-4-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914833
1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea
CID 146278148
3-(1-acetylpiperidin-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696413
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
N-(1-methylcyclopropyl)-2-piperidin-4-ylacetamide
CID 115739550
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
2-(1-acetylpiperidin-4-yl)-N-[(S)-(3-chlorophenyl)-pyrrolidin-2-ylmethyl]acetamide
CID 170580165
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1-adamantyl)acetamide
CID 26687467

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide (CID 156754623) is 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide is CC(=O)N1CCC(CC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide?
The InChIKey is BUEXCQGRGKBLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-17(28)27-9-7-18(8-10-27)11-23(29)26-25-14-19-12-24(2,16-25)13-20(15-25)22-6-4-3-5-21(19)22/h3-6,18-20H,7-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide?
2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide has a molecular weight of 394.56 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-N-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)acetamide is sourced from PubChem (CID 156754623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).