phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone

C22H24N2O2 — CID 84543270

IUPACphenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C22H24N2O2/c25-21(18-7-2-1-3-8-18)23-12-14-24(15-13-23)22(26)20-11-10-17-6-4-5-9-19(17)16-20/h1-3,7-8,10-11,16H,4-6,9,12-15H2
InChIKeyJVHWZHUPXAUJBY-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.16
Rot. Bonds2

About phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone

phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 84543270) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID84543270
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Namephenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C22H24N2O2/c25-21(18-7-2-1-3-8-18)23-12-14-24(15-13-23)22(26)20-11-10-17-6-4-5-9-19(17)16-20/h1-3,7-8,10-11,16H,4-6,9,12-15H2
InChIKeyJVHWZHUPXAUJBY-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418
N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86884558
cyclopropyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110806430
methyl 4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808701
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
cyclobutyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809284
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
1,4-diazepan-1-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 119414334

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone (CID 84543270) is phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JVHWZHUPXAUJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(18-7-2-1-3-8-18)23-12-14-24(15-13-23)22(26)20-11-10-17-6-4-5-9-19(17)16-20/h1-3,7-8,10-11,16H,4-6,9,12-15H2.
What are the key properties of phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone?
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 84543270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).