(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone

C18H22N2OS — CID 17193910

IUPAC(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H22N2OS/c1-2-6-17-13-15(14-22-17)18(21)20-11-9-19(10-12-20)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3
InChIKeyACCQGRIBOJZXGM-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.66
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone

(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone (PubChem CID 17193910) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
PubChem CID17193910
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN(c3ccccc3)CC2)cs1
InChIInChI=1S/C18H22N2OS/c1-2-6-17-13-15(14-22-17)18(21)20-11-9-19(10-12-20)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3
InChIKeyACCQGRIBOJZXGM-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-propylthiophen-3-yl)methanone
CID 1246661
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
(4-phenylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 17175869
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912
N-[3-acetamido-5-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17489391
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone (CID 17193910) is (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone is CCCc1cc(C(=O)N2CCN(c3ccccc3)CC2)cs1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone?
The InChIKey is ACCQGRIBOJZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-6-17-13-15(14-22-17)18(21)20-11-9-19(10-12-20)16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3.
What are the key properties of (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone?
(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone has a molecular weight of 314.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone is sourced from PubChem (CID 17193910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).