4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide

C17H21N3OS — CID 34709804

IUPAC4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H21N3OS/c18-17(21)15-5-3-14(4-6-15)12-19-7-9-20(10-8-19)13-16-2-1-11-22-16/h1-6,11H,7-10,12-13H2,(H2,18,21)
InChIKeyZWAWKYXEGFCDFV-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.16
Rot. Bonds5

About 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide

4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 34709804) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
PubChem CID34709804
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C17H21N3OS/c18-17(21)15-5-3-14(4-6-15)12-19-7-9-20(10-8-19)13-16-2-1-11-22-16/h1-6,11H,7-10,12-13H2,(H2,18,21)
InChIKeyZWAWKYXEGFCDFV-UHFFFAOYSA-N
XLogP2.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(pyrazol-1-ylmethyl)phenyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134036779
5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 86858542
4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]benzamide
CID 34947002
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
(4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60655593
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834140
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide (CID 34709804) is 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is ZWAWKYXEGFCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-17(21)15-5-3-14(4-6-15)12-19-7-9-20(10-8-19)13-16-2-1-11-22-16/h1-6,11H,7-10,12-13H2,(H2,18,21).
What are the key properties of 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 315.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 34709804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).