[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate

C26H28N2O3 — CID 15704049

IUPAC[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate
SMILESCC(C)N1CCN(C(=O)c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C26H28N2O3/c1-19(2)27-14-16-28(17-15-27)26(30)21-10-12-23(13-11-21)31-25(29)18-22-8-5-7-20-6-3-4-9-24(20)22/h3-13,19H,14-18H2,1-2H3
InChIKeyYATBXYGEHATYES-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.15
Rot. Bonds5

About [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate

[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate (PubChem CID 15704049) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate
PubChem CID15704049
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate
SMILESCC(C)N1CCN(C(=O)c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C26H28N2O3/c1-19(2)27-14-16-28(17-15-27)26(30)21-10-12-23(13-11-21)31-25(29)18-22-8-5-7-20-6-3-4-9-24(20)22/h3-13,19H,14-18H2,1-2H3
InChIKeyYATBXYGEHATYES-UHFFFAOYSA-N
XLogP4.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
N-[(2S)-1-(4-benzoylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 41235170
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 4-(diaminomethylideneamino)benzoate
CID 10549475
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]ethyl 4-(2-naphthalen-1-ylacetyl)oxybenzoate
CID 13136790
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(4-benzylpiperazine-1-carbonyl)phenyl] 2-(1H-indol-3-yl)acetate
CID 10837383
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(anilinomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10476655
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate (CID 15704049) is [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate is CC(C)N1CCN(C(=O)c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)CC1.
What is the InChIKey of [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate?
The InChIKey is YATBXYGEHATYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(2)27-14-16-28(17-15-27)26(30)21-10-12-23(13-11-21)31-25(29)18-22-8-5-7-20-6-3-4-9-24(20)22/h3-13,19H,14-18H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate?
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate has a molecular weight of 416.52 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 15704049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).