2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C20H23N3O3 — CID 51278984

IUPAC2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H23N3O3/c1-14(2)21-18(24)20(26)23-12-10-22(11-13-23)19(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,21,24)
InChIKeyMVVYOJLTXDIUIZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.65
Rot. Bonds2

About 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 51278984) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID51278984
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C20H23N3O3/c1-14(2)21-18(24)20(26)23-12-10-22(11-13-23)19(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,21,24)
InChIKeyMVVYOJLTXDIUIZ-UHFFFAOYSA-N
XLogP1.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
2-[4-(3-methyl-2-phenylquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 100655590
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 51278984) is 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is MVVYOJLTXDIUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(2)21-18(24)20(26)23-12-10-22(11-13-23)19(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 353.42 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 51278984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).