6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

C18H19ClN4O2 — CID 134787640

IUPAC6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C18H19ClN4O2/c1-12-20-10-16-11-22(18(25)23(12)16)15-6-8-21(9-7-15)17(24)13-2-4-14(19)5-3-13/h2-5,10,15H,6-9,11H2,1H3
InChIKeyIFAGQEAQHGUEGM-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.93
Rot. Bonds2

About 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 134787640) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID134787640
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2
InChIInChI=1S/C18H19ClN4O2/c1-12-20-10-16-11-22(18(25)23(12)16)15-6-8-21(9-7-15)17(24)13-2-4-14(19)5-3-13/h2-5,10,15H,6-9,11H2,1H3
InChIKeyIFAGQEAQHGUEGM-UHFFFAOYSA-N
XLogP2.93
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 134791159
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854284
6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66854212
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfinyl-1-oxobutan-2-yl]urea
CID 58858026
6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 10413253
[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-(2-oxoethyl)carbamic acid
CID 87529228
1-(4-iodophenyl)-3-[4-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-oxobutan-2-yl]urea
CID 70841208
tert-butyl N-ethyl-N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646928
1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 58858008
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 134787640) is 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2.
What is the InChIKey of 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is IFAGQEAQHGUEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-20-10-16-11-22(18(25)23(12)16)15-6-8-21(9-7-15)17(24)13-2-4-14(19)5-3-13/h2-5,10,15H,6-9,11H2,1H3.
What are the key properties of 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 358.83 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 134787640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).