2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide

C21H26ClN3OS — CID 34049003

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C21H26ClN3OS/c22-19-7-6-18(27-19)14-24-10-12-25(13-11-24)15-20(26)23-16-21(8-9-21)17-4-2-1-3-5-17/h1-7H,8-16H2,(H,23,26)
InChIKeyUNIANVFZUAIRTQ-UHFFFAOYSA-N
MW403.98 g/mol
LogP3.37
Rot. Bonds7

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 34049003) has the molecular formula C21H26ClN3OS and a molecular weight of 403.98 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID34049003
Molecular FormulaC21H26ClN3OS
Molecular Weight403.98 g/mol
Exact Mass403.15
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C21H26ClN3OS/c22-19-7-6-18(27-19)14-24-10-12-25(13-11-24)15-20(26)23-16-21(8-9-21)17-4-2-1-3-5-17/h1-7H,8-16H2,(H,23,26)
InChIKeyUNIANVFZUAIRTQ-UHFFFAOYSA-N
XLogP3.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.98
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 8002128
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 95312893
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
N-butan-2-yl-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]acetamide
CID 47007098
2-(4-acetyl-1,4-diazepan-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 35269989
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9262183
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9262225

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 34049003) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is UNIANVFZUAIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3OS/c22-19-7-6-18(27-19)14-24-10-12-25(13-11-24)15-20(26)23-16-21(8-9-21)17-4-2-1-3-5-17/h1-7H,8-16H2,(H,23,26).
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 403.98 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 34049003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).