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

C24H25ClN4O5S — CID 10324263

IUPAC6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1
InChIInChI=1S/C24H25ClN4O5S/c25-18-3-1-17-12-21(4-2-16(17)11-18)35(33,34)10-7-23(31)27-8-5-19(6-9-27)28-14-20-13-26-22(15-30)29(20)24(28)32/h1-4,11-13,19,30H,5-10,14-15H2
InChIKeyPJHHHEVXZRKZJY-UHFFFAOYSA-N
MW517.01 g/mol
LogP2.82
Rot. Bonds6

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

6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 10324263) has the molecular formula C24H25ClN4O5S and a molecular weight of 517.01 g/mol. Its IUPAC name is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID10324263
Molecular FormulaC24H25ClN4O5S
Molecular Weight517.01 g/mol
Exact Mass516.12
IUPAC Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1
InChIInChI=1S/C24H25ClN4O5S/c25-18-3-1-17-12-21(4-2-16(17)11-18)35(33,34)10-7-23(31)27-8-5-19(6-9-27)28-14-20-13-26-22(15-30)29(20)24(28)32/h1-4,11-13,19,30H,5-10,14-15H2
InChIKeyPJHHHEVXZRKZJY-UHFFFAOYSA-N
XLogP2.82
TPSA112.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.01
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one (CID 10324263) is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one is O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2Cc3cnc(CO)n3C2=O)CC1.
What is the InChIKey of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is PJHHHEVXZRKZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5S/c25-18-3-1-17-12-21(4-2-16(17)11-18)35(33,34)10-7-23(31)27-8-5-19(6-9-27)28-14-20-13-26-22(15-30)29(20)24(28)32/h1-4,11-13,19,30H,5-10,14-15H2.
What are the key properties of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 517.01 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-(hydroxymethyl)-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 10324263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).