(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

C20H23N3O2S — CID 51148177

IUPAC(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2S/c24-19(17-8-4-10-23(17)20(25)18-9-5-15-26-18)22-13-11-21(12-14-22)16-6-2-1-3-7-16/h1-3,5-7,9,15,17H,4,8,10-14H2
InChIKeyLAFHXQMLPZGKKU-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.70
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 51148177) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID51148177
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2S/c24-19(17-8-4-10-23(17)20(25)18-9-5-15-26-18)22-13-11-21(12-14-22)16-6-2-1-3-7-16/h1-3,5-7,9,15,17H,4,8,10-14H2
InChIKeyLAFHXQMLPZGKKU-UHFFFAOYSA-N
XLogP2.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 24675829
2,2,2-trifluoro-1-[2-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110346944
cyclohexyl-[2-(4-phenylpiperazine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 55731339
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 31939799
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
3-methyl-1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119257459
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 2537042

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (CID 51148177) is (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1C(=O)c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is LAFHXQMLPZGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(17-8-4-10-23(17)20(25)18-9-5-15-26-18)22-13-11-21(12-14-22)16-6-2-1-3-7-16/h1-3,5-7,9,15,17H,4,8,10-14H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 51148177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).