[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone

C18H20ClN3O2 — CID 166281491

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
SMILESO=C(c1cnc2n1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O2/c19-13-3-5-14(6-4-13)24-15-7-10-21(11-8-15)18(23)16-12-20-17-2-1-9-22(16)17/h3-6,12,15H,1-2,7-11H2
InChIKeySLRCRZSEOVSGSB-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.17
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone (PubChem CID 166281491) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
PubChem CID166281491
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
SMILESO=C(c1cnc2n1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O2/c19-13-3-5-14(6-4-13)24-15-7-10-21(11-8-15)18(23)16-12-20-17-2-1-9-22(16)17/h3-6,12,15H,1-2,7-11H2
InChIKeySLRCRZSEOVSGSB-UHFFFAOYSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
CID 139006441
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 67168780
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]methanone
CID 166338856
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 166338864

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone (CID 166281491) is [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone is O=C(c1cnc2n1CCC2)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
The InChIKey is SLRCRZSEOVSGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-13-3-5-14(6-4-13)24-15-7-10-21(11-8-15)18(23)16-12-20-17-2-1-9-22(16)17/h3-6,12,15H,1-2,7-11H2.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone is sourced from PubChem (CID 166281491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).