N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C19H23N3O2S — CID 18191699

IUPACN-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-15(16-6-3-2-4-7-16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-8,13,15H,9-12,14H2,1H3,(H,20,23)
InChIKeyVAQDQYOPTYPSSY-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.38
Rot. Bonds5

About N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 18191699) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID18191699
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-15(16-6-3-2-4-7-16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-8,13,15H,9-12,14H2,1H3,(H,20,23)
InChIKeyVAQDQYOPTYPSSY-UHFFFAOYSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 55412784
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
2-cyclopentyl-N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 42842497
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 18191699) is N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is CC(NC(=O)CN1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is VAQDQYOPTYPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-15(16-6-3-2-4-7-16)20-18(23)14-21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h2-8,13,15H,9-12,14H2,1H3,(H,20,23).
What are the key properties of N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18191699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).