N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide

C24H27N3O3 — CID 46367791

IUPACN-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc2c(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C24H27N3O3/c1-18-8-9-21-19(15-24(29)30-22(21)14-18)16-26-10-12-27(13-11-26)17-23(28)25(2)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16-17H2,1-2H3
InChIKeyGQSIMDWNQPHCES-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide

N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 46367791) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID46367791
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCc1ccc2c(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C24H27N3O3/c1-18-8-9-21-19(15-24(29)30-22(21)14-18)16-26-10-12-27(13-11-26)17-23(28)25(2)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16-17H2,1-2H3
InChIKeyGQSIMDWNQPHCES-UHFFFAOYSA-N
XLogP2.88
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 17251263
N-(4-fluorophenyl)-N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
CID 17251258
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 17399460
7-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 18086300
7-methyl-4-[[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 23608188
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 23606550
N-(3-ethylphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
CID 17251023
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
N-methyl-2-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 171909800
ethyl (3R)-1-[(7-methyl-2-oxochromen-4-yl)methyl]piperidine-3-carboxylate
CID 2468520
4-[[N-(2-hydroxypropyl)anilino]methyl]-7-methylchromen-2-one
CID 51132763

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 46367791) is N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide is Cc1ccc2c(CN3CCN(CC(=O)N(C)c4ccccc4)CC3)cc(=O)oc2c1.
What is the InChIKey of N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is GQSIMDWNQPHCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-8-9-21-19(15-24(29)30-22(21)14-18)16-26-10-12-27(13-11-26)17-23(28)25(2)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16-17H2,1-2H3.
What are the key properties of N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide?
N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 46367791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).