(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C20H21N3OS — CID 24517457

IUPAC(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H21N3OS/c24-20(18-3-5-19(6-4-18)22-8-1-2-9-22)23-12-10-21(11-13-23)15-17-7-14-25-16-17/h1-9,14,16H,10-13,15H2
InChIKeyQSJRDZMAOFYSDK-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.50
Rot. Bonds4

About (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 24517457) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID24517457
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccc2)cc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C20H21N3OS/c24-20(18-3-5-19(6-4-18)22-8-1-2-9-22)23-12-10-21(11-13-23)15-17-7-14-25-16-17/h1-9,14,16H,10-13,15H2
InChIKeyQSJRDZMAOFYSDK-UHFFFAOYSA-N
XLogP3.50
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dimethylpyrrol-1-yl)phenyl]-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 3788667
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 6733780
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 34563464
N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 9181732
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
[3-(dimethylamino)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 35438430
[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 17401303
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
1-(azepan-1-yl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17401505
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874

Frequently Asked Questions

What is the IUPAC name of (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 24517457) is (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-n2cccc2)cc1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is QSJRDZMAOFYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(18-3-5-19(6-4-18)22-8-1-2-9-22)23-12-10-21(11-13-23)15-17-7-14-25-16-17/h1-9,14,16H,10-13,15H2.
What are the key properties of (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 351.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24517457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).