2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide

C23H34ClN5O3 — CID 58812461

IUPAC2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(C2=C(Cl)NC(NCCC3CCNCC3)C(=O)N2CC(=O)NC(C)C)c1
InChIInChI=1S/C23H34ClN5O3/c1-15(2)27-19(30)14-29-20(17-5-4-6-18(13-17)32-3)21(24)28-22(23(29)31)26-12-9-16-7-10-25-11-8-16/h4-6,13,15-16,22,25-26,28H,7-12,14H2,1-3H3,(H,27,30)
InChIKeyJRYHMRMOLSEIMV-UHFFFAOYSA-N
MW464.01 g/mol
LogP1.82
Rot. Bonds9

About 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide

2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide (PubChem CID 58812461) has the molecular formula C23H34ClN5O3 and a molecular weight of 464.01 g/mol. Its IUPAC name is 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide
PubChem CID58812461
Molecular FormulaC23H34ClN5O3
Molecular Weight464.01 g/mol
Exact Mass463.24
IUPAC Name2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(C2=C(Cl)NC(NCCC3CCNCC3)C(=O)N2CC(=O)NC(C)C)c1
InChIInChI=1S/C23H34ClN5O3/c1-15(2)27-19(30)14-29-20(17-5-4-6-18(13-17)32-3)21(24)28-22(23(29)31)26-12-9-16-7-10-25-11-8-16/h4-6,13,15-16,22,25-26,28H,7-12,14H2,1-3H3,(H,27,30)
InChIKeyJRYHMRMOLSEIMV-UHFFFAOYSA-N
XLogP1.82
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide
CID 58812493
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
CID 142321476
2-[7-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]butyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 70254415
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
3-(3-methoxyphenyl)-3-[[2-[[4-piperidin-4-yl-2-(2-piperidin-4-ylethyl)butanoyl]amino]acetyl]amino]propanoic acid
CID 18330229
3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide
CID 142324853
2-[7-iodo-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 68997905
3-[(3-methoxyphenyl)methyl]-2-oxo-N-propan-2-yl-1,3-diazinane-4-carboxamide
CID 18338856
6-(3-methoxyphenyl)-2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
CID 82147185
N-[1-(3-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876727

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide (CID 58812461) is 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide is COc1cccc(C2=C(Cl)NC(NCCC3CCNCC3)C(=O)N2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is JRYHMRMOLSEIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN5O3/c1-15(2)27-19(30)14-29-20(17-5-4-6-18(13-17)32-3)21(24)28-22(23(29)31)26-12-9-16-7-10-25-11-8-16/h4-6,13,15-16,22,25-26,28H,7-12,14H2,1-3H3,(H,27,30).
What are the key properties of 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide?
2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 464.01 g/mol, XLogP of 1.82, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(3-methoxyphenyl)-3-oxo-2-(2-piperidin-4-ylethylamino)-1,2-dihydropyrazin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 58812461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).