4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide

C19H22N4O2 — CID 53335593

IUPAC4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1
InChIInChI=1S/C19H22N4O2/c1-2-10-21-18(24)15-6-8-16(9-7-15)25-19-17(20-11-12-22-19)23-13-4-3-5-14-23/h2,6-9,11-12H,1,3-5,10,13-14H2,(H,21,24)
InChIKeySQDITEJGIHZJAK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.17
Rot. Bonds6

About 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide

4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide (PubChem CID 53335593) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
PubChem CID53335593
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1
InChIInChI=1S/C19H22N4O2/c1-2-10-21-18(24)15-6-8-16(9-7-15)25-19-17(20-11-12-22-19)23-13-4-3-5-14-23/h2,6-9,11-12H,1,3-5,10,13-14H2,(H,21,24)
InChIKeySQDITEJGIHZJAK-UHFFFAOYSA-N
XLogP3.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585
N-(2-methoxyethyl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 53335594
4-(3-pyrrolidin-1-ylpyrazin-2-yl)oxybenzoic acid
CID 45031060
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185907
N-cycloheptyl-4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335650
N-cyclohexyl-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide
CID 53335611
4-(3-morpholin-4-ylpyrazin-2-yl)oxy-N-phenylbenzamide
CID 53335632
N-[(4-methylphenyl)methyl]-4-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]oxybenzamide
CID 46394298
1-[5-(prop-2-enylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 120964835
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide?
The IUPAC name of 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide (CID 53335593) is 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1.
What is the InChIKey of 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide?
The InChIKey is SQDITEJGIHZJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-10-21-18(24)15-6-8-16(9-7-15)25-19-17(20-11-12-22-19)23-13-4-3-5-14-23/h2,6-9,11-12H,1,3-5,10,13-14H2,(H,21,24).
What are the key properties of 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide?
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 53335593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).