6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one

C29H37N3O4 — CID 123418233

IUPAC6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one
SMILESCc1ncc2n1C=C(CCCC(=O)N1CCC(C(=O)c3ccc(C(C)(C)O)cc3)CC1)CCCC2=O
InChIInChI=1S/C29H37N3O4/c1-20-30-18-25-26(33)8-4-6-21(19-32(20)25)7-5-9-27(34)31-16-14-23(15-17-31)28(35)22-10-12-24(13-11-22)29(2,3)36/h10-13,18-19,23,36H,4-9,14-17H2,1-3H3
InChIKeyHJRWDBVFNGXJAG-UHFFFAOYSA-N
MW491.63 g/mol
LogP4.92
Rot. Bonds7

About 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one

6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one (PubChem CID 123418233) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one.

Molecular Properties

Compound Name6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one
PubChem CID123418233
Molecular FormulaC29H37N3O4
Molecular Weight491.63 g/mol
Exact Mass491.28
IUPAC Name6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one
SMILESCc1ncc2n1C=C(CCCC(=O)N1CCC(C(=O)c3ccc(C(C)(C)O)cc3)CC1)CCCC2=O
InChIInChI=1S/C29H37N3O4/c1-20-30-18-25-26(33)8-4-6-21(19-32(20)25)7-5-9-27(34)31-16-14-23(15-17-31)28(35)22-10-12-24(13-11-22)29(2,3)36/h10-13,18-19,23,36H,4-9,14-17H2,1-3H3
InChIKeyHJRWDBVFNGXJAG-UHFFFAOYSA-N
XLogP4.92
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one with MolForge

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Related Compounds

6-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-pyrrolo[1,2-a]azocin-10-one
CID 123232203
2-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-7-methyl-3H-thieno[3,4-d]pyrimidin-4-one
CID 136930848
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 118498310
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
1-methyl-6-[4-[4-(4-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136929613
7-fluoro-2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929591
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
CID 51127557
6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118507414
4-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]butan-1-one
CID 134055781
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one?
The IUPAC name of 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one (CID 123418233) is 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one.
What is the SMILES notation for 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one?
The canonical SMILES for 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one is Cc1ncc2n1C=C(CCCC(=O)N1CCC(C(=O)c3ccc(C(C)(C)O)cc3)CC1)CCCC2=O.
What is the InChIKey of 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one?
The InChIKey is HJRWDBVFNGXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-20-30-18-25-26(33)8-4-6-21(19-32(20)25)7-5-9-27(34)31-16-14-23(15-17-31)28(35)22-10-12-24(13-11-22)29(2,3)36/h10-13,18-19,23,36H,4-9,14-17H2,1-3H3.
What are the key properties of 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one?
6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one has a molecular weight of 491.63 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-imidazo[1,5-a]azocin-10-one is sourced from PubChem (CID 123418233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).