1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone

C23H23BrN2OS — CID 92769392

IUPAC1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H23BrN2OS/c24-20-10-8-19(9-11-20)23(18-5-2-1-3-6-18)26-14-12-25(13-15-26)22(27)17-21-7-4-16-28-21/h1-11,16,23H,12-15,17H2/t23-/m1/s1
InChIKeyMZSFLOFWNRTZCD-HSZRJFAPSA-N
MW455.42 g/mol
LogP4.99
Rot. Bonds5

About 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 92769392) has the molecular formula C23H23BrN2OS and a molecular weight of 455.42 g/mol. Its IUPAC name is 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID92769392
Molecular FormulaC23H23BrN2OS
Molecular Weight455.42 g/mol
Exact Mass454.07
IUPAC Name1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H23BrN2OS/c24-20-10-8-19(9-11-20)23(18-5-2-1-3-6-18)26-14-12-25(13-15-26)22(27)17-21-7-4-16-28-21/h1-11,16,23H,12-15,17H2/t23-/m1/s1
InChIKeyMZSFLOFWNRTZCD-HSZRJFAPSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
CID 92768650
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone;hydrochloride
CID 2893953
(2R)-1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92769934
1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 92760743
1-[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 44922386
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292
2-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]acetic acid;dihydrochloride
CID 68930763
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 1009700
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
1-(4-benzhydrylpiperazin-1-yl)-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100759755

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 92769392) is 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is MZSFLOFWNRTZCD-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23BrN2OS/c24-20-10-8-19(9-11-20)23(18-5-2-1-3-6-18)26-14-12-25(13-15-26)22(27)17-21-7-4-16-28-21/h1-11,16,23H,12-15,17H2/t23-/m1/s1.
What are the key properties of 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 455.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 92769392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).