1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea

C22H29N3O3 — CID 146278148

IUPAC1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea
SMILESCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C2)c2ccccc24)O3)CC1
InChIInChI=1S/C22H29N3O3/c1-14(26)25-8-6-17(7-9-25)23-21(27)24-22-12-15-10-18(28-22)11-16(13-22)20-5-3-2-4-19(15)20/h2-5,15-18H,6-13H2,1H3,(H2,23,24,27)
InChIKeyYRYKQWALENFGCE-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.85
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea

1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea (PubChem CID 146278148) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea
PubChem CID146278148
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea
SMILESCC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C2)c2ccccc24)O3)CC1
InChIInChI=1S/C22H29N3O3/c1-14(26)25-8-6-17(7-9-25)23-21(27)24-22-12-15-10-18(28-22)11-16(13-22)20-5-3-2-4-19(15)20/h2-5,15-18H,6-13H2,1H3,(H2,23,24,27)
InChIKeyYRYKQWALENFGCE-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(1-acetylpiperidin-4-yl)-3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94156488
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea
CID 97092979
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
1-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
CID 43745998
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-yl)urea
CID 25073596
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
N-[(2R,4R)-9-acetyl-2-(2-chlorophenyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110134120
1-(1-benzylpiperidin-4-yl)-3-(3,7-dimethyl-2-oxabicyclo[3.3.1]nonan-3-yl)urea
CID 145237627
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea?
The IUPAC name of 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) is 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea is CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C2)c2ccccc24)O3)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea?
The InChIKey is YRYKQWALENFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(26)25-8-6-17(7-9-25)23-21(27)24-22-12-15-10-18(28-22)11-16(13-22)20-5-3-2-4-19(15)20/h2-5,15-18H,6-13H2,1H3,(H2,23,24,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea?
1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea has a molecular weight of 383.49 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(11-oxatetracyclo[8.3.1.18,12.02,7]pentadeca-2,4,6-trien-10-yl)urea is sourced from PubChem (CID 146278148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).