(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

C19H21N3O2S — CID 90510999

IUPAC(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H21N3O2S/c23-18(15-13-22(14-15)19(24)17-7-4-12-25-17)21-10-8-20(9-11-21)16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2
InChIKeyLWSWYMBGFQPOGA-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.17
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (PubChem CID 90510999) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
PubChem CID90510999
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H21N3O2S/c23-18(15-13-22(14-15)19(24)17-7-4-12-25-17)21-10-8-20(9-11-21)16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2
InChIKeyLWSWYMBGFQPOGA-UHFFFAOYSA-N
XLogP2.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511220
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511006
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
4-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715816
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (CID 90510999) is (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is O=C(c1cccs1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The InChIKey is LWSWYMBGFQPOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(15-13-22(14-15)19(24)17-7-4-12-25-17)21-10-8-20(9-11-21)16-5-2-1-3-6-16/h1-7,12,15H,8-11,13-14H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 2.17, 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)azetidin-3-yl]methanone is sourced from PubChem (CID 90510999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).