5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide

C21H26N2O2S — CID 25383007

IUPAC5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cs1
InChIInChI=1S/C21H26N2O2S/c1-16(24)20-13-18(15-26-20)21(25)22(2)19-9-6-11-23(14-19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3/t19-/m0/s1
InChIKeyBURHREAJSOSVBD-IBGZPJMESA-N
MW370.52 g/mol
LogP3.73
Rot. Bonds6

About 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide

5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 25383007) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
PubChem CID25383007
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cs1
InChIInChI=1S/C21H26N2O2S/c1-16(24)20-13-18(15-26-20)21(25)22(2)19-9-6-11-23(14-19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3/t19-/m0/s1
InChIKeyBURHREAJSOSVBD-IBGZPJMESA-N
XLogP3.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45183595
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 139008424
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide (CID 25383007) is 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)N(C)[C@H]2CCCN(CCc3ccccc3)C2)cs1.
What is the InChIKey of 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is BURHREAJSOSVBD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16(24)20-13-18(15-26-20)21(25)22(2)19-9-6-11-23(14-19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide?
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 25383007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).