2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one

C27H32N4O — CID 78296031

IUPAC2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one
SMILESCC1NC(N2CCN(Cc3ccccc3)CC2)NC(=O)C1Cc1cccc2ccccc12
InChIInChI=1S/C27H32N4O/c1-20-25(18-23-12-7-11-22-10-5-6-13-24(22)23)26(32)29-27(28-20)31-16-14-30(15-17-31)19-21-8-3-2-4-9-21/h2-13,20,25,27-28H,14-19H2,1H3,(H,29,32)
InChIKeyGROYORUUESVWFY-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one

2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one (PubChem CID 78296031) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one
PubChem CID78296031
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one
SMILESCC1NC(N2CCN(Cc3ccccc3)CC2)NC(=O)C1Cc1cccc2ccccc12
InChIInChI=1S/C27H32N4O/c1-20-25(18-23-12-7-11-22-10-5-6-13-24(22)23)26(32)29-27(28-20)31-16-14-30(15-17-31)19-21-8-3-2-4-9-21/h2-13,20,25,27-28H,14-19H2,1H3,(H,29,32)
InChIKeyGROYORUUESVWFY-UHFFFAOYSA-N
XLogP3.21
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
CID 90483361
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione
CID 66825008
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one
CID 51311404
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one (CID 78296031) is 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one is CC1NC(N2CCN(Cc3ccccc3)CC2)NC(=O)C1Cc1cccc2ccccc12.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one?
The InChIKey is GROYORUUESVWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-20-25(18-23-12-7-11-22-10-5-6-13-24(22)23)26(32)29-27(28-20)31-16-14-30(15-17-31)19-21-8-3-2-4-9-21/h2-13,20,25,27-28H,14-19H2,1H3,(H,29,32).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one?
2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one has a molecular weight of 428.58 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-methyl-5-(naphthalen-1-ylmethyl)-1,3-diazinan-4-one is sourced from PubChem (CID 78296031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).