2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide

C25H29N5O3 — CID 24895862

IUPAC2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O)Nc1ccccc1
InChIInChI=1S/C25H29N5O3/c31-23(27-20-7-3-1-4-8-20)19-30-16-13-26-24(25(30)32)28-21-11-14-29(15-12-21)17-18-33-22-9-5-2-6-10-22/h1-10,13,16,21H,11-12,14-15,17-19H2,(H,26,28)(H,27,31)
InChIKeyQCZROBLZGOVYFB-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.84
Rot. Bonds9

About 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide

2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide (PubChem CID 24895862) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
PubChem CID24895862
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O)Nc1ccccc1
InChIInChI=1S/C25H29N5O3/c31-23(27-20-7-3-1-4-8-20)19-30-16-13-26-24(25(30)32)28-21-11-14-29(15-12-21)17-18-33-22-9-5-2-6-10-22/h1-10,13,16,21H,11-12,14-15,17-19H2,(H,26,28)(H,27,31)
InChIKeyQCZROBLZGOVYFB-UHFFFAOYSA-N
XLogP2.84
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 59293572
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
2-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 36947804
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one
CID 74376083
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide (CID 24895862) is 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide is O=C(Cn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O)Nc1ccccc1.
What is the InChIKey of 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide?
The InChIKey is QCZROBLZGOVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c31-23(27-20-7-3-1-4-8-20)19-30-16-13-26-24(25(30)32)28-21-11-14-29(15-12-21)17-18-33-22-9-5-2-6-10-22/h1-10,13,16,21H,11-12,14-15,17-19H2,(H,26,28)(H,27,31).
What are the key properties of 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide?
2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide has a molecular weight of 447.54 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 24895862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).