(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone

C19H24N2O — CID 56993036

IUPAC(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCCCCC1CN(C(=O)c2cccc3ccccc23)CCN1
InChIInChI=1S/C19H24N2O/c1-2-3-9-16-14-21(13-12-20-16)19(22)18-11-6-8-15-7-4-5-10-17(15)18/h4-8,10-11,16,20H,2-3,9,12-14H2,1H3
InChIKeyIEDMTUPTIGDEIN-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.44
Rot. Bonds4

About (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone

(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 56993036) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
PubChem CID56993036
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCCCCC1CN(C(=O)c2cccc3ccccc23)CCN1
InChIInChI=1S/C19H24N2O/c1-2-3-9-16-14-21(13-12-20-16)19(22)18-11-6-8-15-7-4-5-10-17(15)18/h4-8,10-11,16,20H,2-3,9,12-14H2,1H3
InChIKeyIEDMTUPTIGDEIN-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-butylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone
CID 67629599
[3-butyl-4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 11603248
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
methyl 2-(3-butylpiperazin-1-yl)benzoate
CID 44829015
1-[(3R)-3-pentylpiperazin-1-yl]ethanone
CID 11367628
(1-hydroxynaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426440
[(3S)-3-butyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-naphthalen-1-ylmethanone;dihydrochloride
CID 22941045
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
(3-butylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507977
[(3S)-3-butyl-4-[2-(1H-imidazol-5-yl)ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 15390969
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
butyl 2-[[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]methyl]aziridine-1-carboxylate
CID 22941020

Frequently Asked Questions

What is the IUPAC name of (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone (CID 56993036) is (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone is CCCCC1CN(C(=O)c2cccc3ccccc23)CCN1.
What is the InChIKey of (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is IEDMTUPTIGDEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-3-9-16-14-21(13-12-20-16)19(22)18-11-6-8-15-7-4-5-10-17(15)18/h4-8,10-11,16,20H,2-3,9,12-14H2,1H3.
What are the key properties of (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone?
(3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylpiperazin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 56993036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).