(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C21H22N2OS — CID 24549487

IUPAC(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)s1
InChIInChI=1S/C21H22N2OS/c1-16-9-10-20(25-16)21(24)23-13-11-22(12-14-23)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10H,11-15H2,1H3
InChIKeyPYFWNYAQWIFUIF-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.17
Rot. Bonds3

About (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 24549487) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID24549487
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)s1
InChIInChI=1S/C21H22N2OS/c1-16-9-10-20(25-16)21(24)23-13-11-22(12-14-23)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10H,11-15H2,1H3
InChIKeyPYFWNYAQWIFUIF-UHFFFAOYSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134017425
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010
(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 31559920
[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 29097028
ethyl 4-methyl-2-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 55916411
5-bromo-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 112838776
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 24549487) is (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is PYFWNYAQWIFUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-16-9-10-20(25-16)21(24)23-13-11-22(12-14-23)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10H,11-15H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 350.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24549487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).