N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C18H22FN3OS — CID 35998814

IUPACN-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1cccc(F)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H22FN3OS/c19-16-4-1-3-15(13-16)6-7-20-18(23)22-10-8-21(9-11-22)14-17-5-2-12-24-17/h1-5,12-13H,6-11,14H2,(H,20,23)
InChIKeyMDKUQFWPAQDEGT-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 35998814) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID35998814
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1cccc(F)c1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C18H22FN3OS/c19-16-4-1-3-15(13-16)6-7-20-18(23)22-10-8-21(9-11-22)14-17-5-2-12-24-17/h1-5,12-13H,6-11,14H2,(H,20,23)
InChIKeyMDKUQFWPAQDEGT-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 110709212
1-[2-(3-fluorophenyl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964473
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810
2-[[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048078
2-[[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110048077
4-[(3,5-difluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 119061910
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185583
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
4-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 4521959
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 35998814) is N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(NCCc1cccc(F)c1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is MDKUQFWPAQDEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c19-16-4-1-3-15(13-16)6-7-20-18(23)22-10-8-21(9-11-22)14-17-5-2-12-24-17/h1-5,12-13H,6-11,14H2,(H,20,23).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 35998814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).