[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C24H26N2OS — CID 9398005

IUPAC[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCSCc1cccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H26N2OS/c1-28-18-19-6-4-9-21(16-19)24(27)26-14-12-25(13-15-26)17-22-10-5-8-20-7-2-3-11-23(20)22/h2-11,16H,12-15,17-18H2,1H3
InChIKeyNRMHZRWADDSONC-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.66
Rot. Bonds5

About [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9398005) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID9398005
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCSCc1cccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C24H26N2OS/c1-28-18-19-6-4-9-21(16-19)24(27)26-14-12-25(13-15-26)17-22-10-5-8-20-7-2-3-11-23(20)22/h2-11,16H,12-15,17-18H2,1H3
InChIKeyNRMHZRWADDSONC-UHFFFAOYSA-N
XLogP4.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 47084944
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
2-methyl-5-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 37210584
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
N-(4-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 166193591
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
4-methyl-1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 63123560
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171

Frequently Asked Questions

What is the IUPAC name of [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 9398005) is [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is CSCc1cccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is NRMHZRWADDSONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-28-18-19-6-4-9-21(16-19)24(27)26-14-12-25(13-15-26)17-22-10-5-8-20-7-2-3-11-23(20)22/h2-11,16H,12-15,17-18H2,1H3.
What are the key properties of [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 390.55 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9398005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).