6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

C24H27ClN4O4S — CID 66853029

IUPAC6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1
InChIInChI=1S/C24H27ClN4O4S/c1-26-14-22-24(31)29(16-28(22)15-26)20-6-9-27(10-7-20)23(30)8-11-34(32,33)21-5-3-17-12-19(25)4-2-18(17)13-21/h2-5,12-14,20H,6-11,15-16H2,1H3
InChIKeyPZSUVHJROQUNEO-UHFFFAOYSA-N
MW503.02 g/mol
LogP2.49
Rot. Bonds5

About 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one

6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (PubChem CID 66853029) has the molecular formula C24H27ClN4O4S and a molecular weight of 503.02 g/mol. Its IUPAC name is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.

Molecular Properties

Compound Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
PubChem CID66853029
Molecular FormulaC24H27ClN4O4S
Molecular Weight503.02 g/mol
Exact Mass502.14
IUPAC Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1
InChIInChI=1S/C24H27ClN4O4S/c1-26-14-22-24(31)29(16-28(22)15-26)20-6-9-27(10-7-20)23(30)8-11-34(32,33)21-5-3-17-12-19(25)4-2-18(17)13-21/h2-5,12-14,20H,6-11,15-16H2,1H3
InChIKeyPZSUVHJROQUNEO-UHFFFAOYSA-N
XLogP2.49
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(difluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853069
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-2-(fluoromethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66854188
N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide
CID 87180488
5-[1-[3-(6-Chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-1-ium-1-yl]-3-methyl-2-methylimino-1,3-thiazole-4-carboxamide
CID 23130950
7-[1-[3-(6-Chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methylimino-5,6-dihydro-[1,3]thiazolo[3,4-a]pyrazin-8-one
CID 57681522
1-(1-{3-((6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}piperidin-4-yl)pyrrolidin-2-one
CID 59347371
[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate
CID 66852548
6-[1-[3-(6-Chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-(hydroxymethyl)-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66852587
6-[1-[3-(6-Chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride
CID 66852610
[6-[1-[3-(6-Chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl acetate;hydrochloride
CID 66852645
2-chloroethyl-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 66852659
[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-[butanoyl(ethyl)amino]propanoate
CID 66852708

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one (CID 66853029) is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one.
What is the SMILES notation for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The canonical SMILES for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is CN1C=C2C(=O)N(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1.
What is the InChIKey of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
The InChIKey is PZSUVHJROQUNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4S/c1-26-14-22-24(31)29(16-28(22)15-26)20-6-9-27(10-7-20)23(30)8-11-34(32,33)21-5-3-17-12-19(25)4-2-18(17)13-21/h2-5,12-14,20H,6-11,15-16H2,1H3.
What are the key properties of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one?
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one has a molecular weight of 503.02 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one is sourced from PubChem (CID 66853029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).