5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one

C16H16ClN3O3 — CID 166281480

IUPAC5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O3/c17-11-1-3-12(4-2-11)23-13-5-7-20(8-6-13)16(22)14-9-19-15(21)10-18-14/h1-4,9-10,13H,5-8H2,(H,19,21)
InChIKeyWJCNTMNQPOVKMT-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.11
Rot. Bonds3

About 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 166281480) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID166281480
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H16ClN3O3/c17-11-1-3-12(4-2-11)23-13-5-7-20(8-6-13)16(22)14-9-19-15(21)10-18-14/h1-4,9-10,13H,5-8H2,(H,19,21)
InChIKeyWJCNTMNQPOVKMT-UHFFFAOYSA-N
XLogP2.11
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
CID 166338912
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
CID 67168153
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]-[4-(1H-imidazol-2-yl)phenyl]methanone
CID 166335707
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 67168484
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
[4-(4-chlorophenoxy)piperidin-1-yl]-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanone
CID 166281491
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]methanone
CID 166335700

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 166281480) is 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is WJCNTMNQPOVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-11-1-3-12(4-2-11)23-13-5-7-20(8-6-13)16(22)14-9-19-15(21)10-18-14/h1-4,9-10,13H,5-8H2,(H,19,21).
What are the key properties of 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 333.78 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 166281480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).