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

C25H26N2O2 — CID 108569250

IUPAC[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H26N2O2/c1-18(2)19-10-12-21(13-11-19)24(28)26-14-16-27(17-15-26)25(29)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,18H,14-17H2,1-2H3
InChIKeyJTRFAUYKEFTSEK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.56
Rot. Bonds3

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

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 108569250) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID108569250
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H26N2O2/c1-18(2)19-10-12-21(13-11-19)24(28)26-14-16-27(17-15-26)25(29)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,18H,14-17H2,1-2H3
InChIKeyJTRFAUYKEFTSEK-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108546808
[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
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
CID 55974794
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
CID 46431394

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 108569250) is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is JTRFAUYKEFTSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(2)19-10-12-21(13-11-19)24(28)26-14-16-27(17-15-26)25(29)23-9-5-7-20-6-3-4-8-22(20)23/h3-13,18H,14-17H2,1-2H3.
What are the key properties of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 108569250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).