[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone

C25H26N2O3 — CID 46584805

IUPAC[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H26N2O3/c1-18(2)30-21-12-10-20(11-13-21)24(28)26-14-16-27(17-15-26)25(29)23-9-5-7-19-6-3-4-8-22(19)23/h3-13,18H,14-17H2,1-2H3
InChIKeyQFDRGQXRGHTITF-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.23
Rot. Bonds4

About [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone (PubChem CID 46584805) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
PubChem CID46584805
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H26N2O3/c1-18(2)30-21-12-10-20(11-13-21)24(28)26-14-16-27(17-15-26)25(29)23-9-5-7-19-6-3-4-8-22(19)23/h3-13,18H,14-17H2,1-2H3
InChIKeyQFDRGQXRGHTITF-UHFFFAOYSA-N
XLogP4.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(2-methylbenzoyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 110802129
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028
1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108546808
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108547222
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
1-[4-(4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805535
[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 2-naphthalen-1-ylacetate
CID 15704049
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone (CID 46584805) is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is QFDRGQXRGHTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18(2)30-21-12-10-20(11-13-21)24(28)26-14-16-27(17-15-26)25(29)23-9-5-7-19-6-3-4-8-22(19)23/h3-13,18H,14-17H2,1-2H3.
What are the key properties of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone?
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 402.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 46584805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).