N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide

C20H25N4O3+ — CID 9226163

IUPACN-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)N1CC[NH+](Cc2ccncc2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(16-27-18-4-2-1-3-5-18)22-14-20(26)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h1-9H,10-16H2,(H,22,25)/p+1
InChIKeyNHFXNODASVWFMT-UHFFFAOYSA-O
MW369.45 g/mol
LogP-0.50
Rot. Bonds7

About N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide

N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide (PubChem CID 9226163) has the molecular formula C20H25N4O3+ and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide
PubChem CID9226163
Molecular FormulaC20H25N4O3+
Molecular Weight369.45 g/mol
Exact Mass369.19
IUPAC NameN-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)N1CC[NH+](Cc2ccncc2)CC1
InChIInChI=1S/C20H24N4O3/c25-19(16-27-18-4-2-1-3-5-18)22-14-20(26)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h1-9H,10-16H2,(H,22,25)/p+1
InChIKeyNHFXNODASVWFMT-UHFFFAOYSA-O
XLogP-0.50
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-1-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 4742818
2-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
CID 9226247
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120528193
2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]acetamide
CID 9226367
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
1-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone
CID 4753887
2,4-dichloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide
CID 9226177
N-[(1S)-3-oxo-1-phenyl-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]acetamide
CID 9226133
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide (CID 9226163) is N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(=O)N1CC[NH+](Cc2ccncc2)CC1.
What is the InChIKey of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is NHFXNODASVWFMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N4O3/c25-19(16-27-18-4-2-1-3-5-18)22-14-20(26)24-12-10-23(11-13-24)15-17-6-8-21-9-7-17/h1-9H,10-16H2,(H,22,25)/p+1.
What are the key properties of N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide?
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 369.45 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 9226163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).