(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone

C19H24N2O — CID 70289039

IUPAC(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone
SMILESCCCCc1ccc2cccc(C(=O)N3CCNCC3)c2c1
InChIInChI=1S/C19H24N2O/c1-2-3-5-15-8-9-16-6-4-7-17(18(16)14-15)19(22)21-12-10-20-11-13-21/h4,6-9,14,20H,2-3,5,10-13H2,1H3
InChIKeyWRSAHDSAEHLKEH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.23
Rot. Bonds4

About (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone

(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone (PubChem CID 70289039) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone
PubChem CID70289039
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone
SMILESCCCCc1ccc2cccc(C(=O)N3CCNCC3)c2c1
InChIInChI=1S/C19H24N2O/c1-2-3-5-15-8-9-16-6-4-7-17(18(16)14-15)19(22)21-12-10-20-11-13-21/h4,6-9,14,20H,2-3,5,10-13H2,1H3
InChIKeyWRSAHDSAEHLKEH-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone?
The IUPAC name of (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone (CID 70289039) is (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone is CCCCc1ccc2cccc(C(=O)N3CCNCC3)c2c1.
What is the InChIKey of (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone?
The InChIKey is WRSAHDSAEHLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-5-15-8-9-16-6-4-7-17(18(16)14-15)19(22)21-12-10-20-11-13-21/h4,6-9,14,20H,2-3,5,10-13H2,1H3.
What are the key properties of (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone?
(7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-butylnaphthalen-1-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 70289039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).