N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide

C26H29N3O4 — CID 17250994

IUPACN-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C(C)=O)cc4)CC3)c2c1
InChIInChI=1S/C26H29N3O4/c1-3-19-4-9-24-23(14-19)21(15-26(32)33-24)16-28-10-12-29(13-11-28)17-25(31)27-22-7-5-20(6-8-22)18(2)30/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,27,31)
InChIKeyMUGMKJDGCXSWPX-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.31
Rot. Bonds7

About N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 17250994) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID17250994
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C(C)=O)cc4)CC3)c2c1
InChIInChI=1S/C26H29N3O4/c1-3-19-4-9-24-23(14-19)21(15-26(32)33-24)16-28-10-12-29(13-11-28)17-25(31)27-22-7-5-20(6-8-22)18(2)30/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,27,31)
InChIKeyMUGMKJDGCXSWPX-UHFFFAOYSA-N
XLogP3.31
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
CID 17251293
2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46367769
2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17251306
N-(3-ethylphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
CID 17251023
6-ethyl-4-[[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]chromen-2-one
CID 92878461
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-6-ethylchromen-2-one
CID 7198589
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 665648
4-[(4-benzhydrylpiperazin-1-yl)methyl]-6-ethylchromen-2-one
CID 3448856
6-ethyl-4-[[4-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]piperazin-1-yl]methyl]chromen-2-one
CID 17251281
N-(4-acetylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997152
4-[[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]methyl]-6-ethylchromen-2-one;dihydrochloride
CID 172897450

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide (CID 17250994) is N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide is CCc1ccc2oc(=O)cc(CN3CCN(CC(=O)Nc4ccc(C(C)=O)cc4)CC3)c2c1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MUGMKJDGCXSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-19-4-9-24-23(14-19)21(15-26(32)33-24)16-28-10-12-29(13-11-28)17-25(31)27-22-7-5-20(6-8-22)18(2)30/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,27,31).
What are the key properties of N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[(6-ethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17250994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).