N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide

C20H24N4O3 — CID 120732203

IUPACN-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H24N4O3/c1-15(23-19(25)14-27-17-7-3-2-4-8-17)20(26)24-11-10-22-13-18(24)16-6-5-9-21-12-16/h2-9,12,15,18,22H,10-11,13-14H2,1H3,(H,23,25)
InChIKeyZYAGSJLLWCQHKA-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.14
Rot. Bonds6

About N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide

N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide (PubChem CID 120732203) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
PubChem CID120732203
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
SMILESCC(NC(=O)COc1ccccc1)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H24N4O3/c1-15(23-19(25)14-27-17-7-3-2-4-8-17)20(26)24-11-10-22-13-18(24)16-6-5-9-21-12-16/h2-9,12,15,18,22H,10-11,13-14H2,1H3,(H,23,25)
InChIKeyZYAGSJLLWCQHKA-UHFFFAOYSA-N
XLogP1.14
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
CID 120731000
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
2-methyl-3-phenylsulfanyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730946
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
N-[(2S)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 37332784
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
CID 120731406

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide (CID 120732203) is N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide is CC(NC(=O)COc1ccccc1)C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide?
The InChIKey is ZYAGSJLLWCQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(23-19(25)14-27-17-7-3-2-4-8-17)20(26)24-11-10-22-13-18(24)16-6-5-9-21-12-16/h2-9,12,15,18,22H,10-11,13-14H2,1H3,(H,23,25).
What are the key properties of N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide?
N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide has a molecular weight of 368.44 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 120732203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).