N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide

C23H23N3O4 — CID 171914495

IUPACN-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)c1ccccc1
InChIInChI=1S/C23H23N3O4/c1-24(18-8-3-2-4-9-18)21(27)16-25-11-13-26(14-12-25)22(28)19-15-17-7-5-6-10-20(17)30-23(19)29/h2-10,15H,11-14,16H2,1H3
InChIKeyXELGDCIATSDNMX-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide

N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 171914495) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID171914495
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESCN(C(=O)CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)c1ccccc1
InChIInChI=1S/C23H23N3O4/c1-24(18-8-3-2-4-9-18)21(27)16-25-11-13-26(14-12-25)22(28)19-15-17-7-5-6-10-20(17)30-23(19)29/h2-10,15H,11-14,16H2,1H3
InChIKeyXELGDCIATSDNMX-UHFFFAOYSA-N
XLogP2.21
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.21
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

3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 9109783
3-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 171385899
3-(4-propanoyl-1,4-diazepane-1-carbonyl)chromen-2-one
CID 110805717
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]chromen-2-one
CID 39572437
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 34010666
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 8642896

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 171914495) is N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide is CN(C(=O)CN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)c1ccccc1.
What is the InChIKey of N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is XELGDCIATSDNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-24(18-8-3-2-4-9-18)21(27)16-25-11-13-26(14-12-25)22(28)19-15-17-7-5-6-10-20(17)30-23(19)29/h2-10,15H,11-14,16H2,1H3.
What are the key properties of N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide?
N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 405.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 171914495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).