(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone

C22H22N2OS — CID 1154208

IUPAC(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H22N2OS/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
InChIKeyLXQAURWRRYXFJT-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.30
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone

(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone (PubChem CID 1154208) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
PubChem CID1154208
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H22N2OS/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
InChIKeyLXQAURWRRYXFJT-UHFFFAOYSA-N
XLogP4.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 97458570
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 2444171
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-[2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 4963522
N-phenyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 51186037
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
1-(4-benzhydrylpiperazin-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyethanone
CID 6381091

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone (CID 1154208) is (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is LXQAURWRRYXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone?
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 362.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1154208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).