(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone

C18H20N2OS — CID 110681313

IUPAC(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(16-13-15(16)17-7-4-12-22-17)20-10-8-19(9-11-20)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2
InChIKeyRYUXVCMHHRNMTA-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.20
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone

(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone (PubChem CID 110681313) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
PubChem CID110681313
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
SMILESO=C(C1CC1c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(16-13-15(16)17-7-4-12-22-17)20-10-8-19(9-11-20)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2
InChIKeyRYUXVCMHHRNMTA-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 138391568
[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-[(1S,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 98915932
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786
[2-(4-phenylpiperazine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 109132218
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
[4-[3-(tetrazol-1-yl)benzoyl]piperazin-1-yl]-[(1R,2S)-2-thiophen-2-ylcyclopropyl]methanone
CID 51897958

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone (CID 110681313) is (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone is O=C(C1CC1c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
The InChIKey is RYUXVCMHHRNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(16-13-15(16)17-7-4-12-22-17)20-10-8-19(9-11-20)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone?
(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone has a molecular weight of 312.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone is sourced from PubChem (CID 110681313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).