N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C17H22N4O2S — CID 31992247

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCN(C(=O)c2cccs2)CC1)C1CC1
InChIInChI=1S/C17H22N4O2S/c1-17(12-18,13-4-5-13)19-15(22)11-20-6-8-21(9-7-20)16(23)14-3-2-10-24-14/h2-3,10,13H,4-9,11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyIVPLIFZAQOZFEY-KRWDZBQOSA-N
MW346.46 g/mol
LogP1.31
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 31992247) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID31992247
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCN(C(=O)c2cccs2)CC1)C1CC1
InChIInChI=1S/C17H22N4O2S/c1-17(12-18,13-4-5-13)19-15(22)11-20-6-8-21(9-7-20)16(23)14-3-2-10-24-14/h2-3,10,13H,4-9,11H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyIVPLIFZAQOZFEY-KRWDZBQOSA-N
XLogP1.31
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31991213
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 78790054
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8934112
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130441
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(1,4-thiazepan-4-yl)acetamide
CID 97100147
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 129424931
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720792

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 31992247) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is C[C@@](C#N)(NC(=O)CN1CCN(C(=O)c2cccs2)CC1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is IVPLIFZAQOZFEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-17(12-18,13-4-5-13)19-15(22)11-20-6-8-21(9-7-20)16(23)14-3-2-10-24-14/h2-3,10,13H,4-9,11H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31992247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).