1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea

C24H33N3O2 — CID 156754670

IUPAC1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1
InChIInChI=1S/C24H33N3O2/c1-16(28)27-9-7-19(8-10-27)25-22(29)26-24-13-17-11-23(2,15-24)12-18(14-24)21-6-4-3-5-20(17)21/h3-6,17-19H,7-15H2,1-2H3,(H2,25,26,29)
InChIKeyRIKNYSRFEVZNRL-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.90
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea

1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea (PubChem CID 156754670) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea
PubChem CID156754670
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea
SMILESCC(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1
InChIInChI=1S/C24H33N3O2/c1-16(28)27-9-7-19(8-10-27)25-22(29)26-24-13-17-11-23(2,15-24)12-18(14-24)21-6-4-3-5-20(17)21/h3-6,17-19H,7-15H2,1-2H3,(H2,25,26,29)
InChIKeyRIKNYSRFEVZNRL-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea
CID 97092979
1-(1-acetylpiperidin-4-yl)-3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94156488
1-(1-acetylpiperidin-4-yl)-3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)urea
CID 145315254
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
CID 43745998

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea?
The IUPAC name of 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) is 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea is CC(=O)N1CCC(NC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea?
The InChIKey is RIKNYSRFEVZNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-16(28)27-9-7-19(8-10-27)25-22(29)26-24-13-17-11-23(2,15-24)12-18(14-24)21-6-4-3-5-20(17)21/h3-6,17-19H,7-15H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea has a molecular weight of 395.55 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(12-methyl-10-tetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trienyl)urea is sourced from PubChem (CID 156754670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).