2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one

C18H18ClN3O2 — CID 134791159

IUPAC2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N2Cc3cccn3C2=O)CC1
InChIInChI=1S/C18H18ClN3O2/c19-14-5-3-13(4-6-14)17(23)20-10-7-15(8-11-20)22-12-16-2-1-9-21(16)18(22)24/h1-6,9,15H,7-8,10-12H2
InChIKeyNBLUKDBHLQBRQW-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.23
Rot. Bonds2

About 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one

2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 134791159) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID134791159
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(N2Cc3cccn3C2=O)CC1
InChIInChI=1S/C18H18ClN3O2/c19-14-5-3-13(4-6-14)17(23)20-10-7-15(8-11-20)22-12-16-2-1-9-21(16)18(22)24/h1-6,9,15H,7-8,10-12H2
InChIKeyNBLUKDBHLQBRQW-UHFFFAOYSA-N
XLogP3.23
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134787640
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
CID 107108689
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
(4-chlorophenyl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]methanone
CID 124711067
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443
(4-chlorophenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91914710
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one (CID 134791159) is 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one is O=C(c1ccc(Cl)cc1)N1CCC(N2Cc3cccn3C2=O)CC1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is NBLUKDBHLQBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-5-3-13(4-6-14)17(23)20-10-7-15(8-11-20)22-12-16-2-1-9-21(16)18(22)24/h1-6,9,15H,7-8,10-12H2.
What are the key properties of 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 343.81 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 134791159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).