[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone

C28H26N2OS — CID 59325062

IUPAC[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone
SMILESO=C(c1scc(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C28H26N2OS/c31-28(30-17-16-29-19-24(30)18-21-10-4-1-5-11-21)27-26(23-14-8-3-9-15-23)25(20-32-27)22-12-6-2-7-13-22/h1-15,20,24,29H,16-19H2/t24-/m1/s1
InChIKeyNEOHAWMWMOXRBR-XMMPIXPASA-N
MW438.60 g/mol
LogP5.74
Rot. Bonds5

About [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone

[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone (PubChem CID 59325062) has the molecular formula C28H26N2OS and a molecular weight of 438.60 g/mol. Its IUPAC name is [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone
PubChem CID59325062
Molecular FormulaC28H26N2OS
Molecular Weight438.60 g/mol
Exact Mass438.18
IUPAC Name[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone
SMILESO=C(c1scc(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1
InChIInChI=1S/C28H26N2OS/c31-28(30-17-16-29-19-24(30)18-21-10-4-1-5-11-21)27-26(23-14-8-3-9-15-23)25(20-32-27)22-12-6-2-7-13-22/h1-15,20,24,29H,16-19H2/t24-/m1/s1
InChIKeyNEOHAWMWMOXRBR-XMMPIXPASA-N
XLogP5.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 76587190
[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 151542372
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2R)-2-fluorocyclohexyl]-5-phenylimidazol-4-yl]methanone
CID 68985061
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
[(2R)-2-benzylpiperazin-1-yl]-[4-(3-bromophenyl)-3-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrol-2-yl]methanone
CID 68664719
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 69174482
(2R)-2-[4-[(2R)-2-benzylpiperazine-1-carbonyl]-5-phenylimidazol-1-yl]cyclohexan-1-one
CID 68990940

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone (CID 59325062) is [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone is O=C(c1scc(-c2ccccc2)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone?
The InChIKey is NEOHAWMWMOXRBR-XMMPIXPASA-N. The full InChI is InChI=1S/C28H26N2OS/c31-28(30-17-16-29-19-24(30)18-21-10-4-1-5-11-21)27-26(23-14-8-3-9-15-23)25(20-32-27)22-12-6-2-7-13-22/h1-15,20,24,29H,16-19H2/t24-/m1/s1.
What are the key properties of [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone?
[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone has a molecular weight of 438.60 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone is sourced from PubChem (CID 59325062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).