[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone

C19H24N2OS — CID 1246661

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2)cs1
InChIInChI=1S/C19H24N2OS/c1-3-6-17-13-16(14-23-17)19(22)21-11-9-20(10-12-21)18-8-5-4-7-15(18)2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3
InChIKeyNWGUZIIUTPEQKI-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.97
Rot. Bonds4

About [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone (PubChem CID 1246661) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
PubChem CID1246661
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2)cs1
InChIInChI=1S/C19H24N2OS/c1-3-6-17-13-16(14-23-17)19(22)21-11-9-20(10-12-21)18-8-5-4-7-15(18)2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3
InChIKeyNWGUZIIUTPEQKI-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
CID 17193910
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
(3,4-dimethylphenyl)-[4-(2-ethylphenyl)piperazin-1-yl]methanone
CID 113075800
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(4-butoxy-3-methoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766369
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 17217267
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone (CID 1246661) is [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone is CCCc1cc(C(=O)N2CCN(c3ccccc3C)CC2)cs1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
The InChIKey is NWGUZIIUTPEQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-6-17-13-16(14-23-17)19(22)21-11-9-20(10-12-21)18-8-5-4-7-15(18)2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone has a molecular weight of 328.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone is sourced from PubChem (CID 1246661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).