[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

C19H21BrN2OS — CID 134026118

IUPAC[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cccs2)CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2OS/c20-16-5-3-15(4-6-16)19(7-8-19)18(23)22-11-9-21(10-12-22)14-17-2-1-13-24-17/h1-6,13H,7-12,14H2
InChIKeyFUNJGNVJGZLXRT-UHFFFAOYSA-N
MW405.36 g/mol
LogP3.89
Rot. Bonds4

About [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 134026118) has the molecular formula C19H21BrN2OS and a molecular weight of 405.36 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID134026118
Molecular FormulaC19H21BrN2OS
Molecular Weight405.36 g/mol
Exact Mass404.06
IUPAC Name[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cccs2)CC1)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrN2OS/c20-16-5-3-15(4-6-16)19(7-8-19)18(23)22-11-9-21(10-12-22)14-17-2-1-13-24-17/h1-6,13H,7-12,14H2
InChIKeyFUNJGNVJGZLXRT-UHFFFAOYSA-N
XLogP3.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(4-bromophenyl)cyclopropyl]methanone
CID 55520605
(4-bromo-1H-pyrrol-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60667451
[1-(4-bromophenyl)cyclobutyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572001
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
2-amino-2-phenyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 119834072
3,9-bis(thiophen-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370579
(4-phenyloxan-4-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55678412

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone (CID 134026118) is [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is O=C(N1CCN(Cc2cccs2)CC1)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is FUNJGNVJGZLXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2OS/c20-16-5-3-15(4-6-16)19(7-8-19)18(23)22-11-9-21(10-12-22)14-17-2-1-13-24-17/h1-6,13H,7-12,14H2.
What are the key properties of [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone?
[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 405.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134026118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).