N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide

C16H20N4O2S — CID 129424931

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCNC(=O)[C@H]1c1cccs1)C1CC1
InChIInChI=1S/C16H20N4O2S/c1-16(10-17,11-4-5-11)19-13(21)9-20-7-6-18-15(22)14(20)12-3-2-8-23-12/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,22)(H,19,21)/t14-,16+/m1/s1
InChIKeyXUTZFJGGEOVDBI-ZBFHGGJFSA-N
MW332.43 g/mol
LogP1.03
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide (PubChem CID 129424931) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
PubChem CID129424931
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
SMILESC[C@@](C#N)(NC(=O)CN1CCNC(=O)[C@H]1c1cccs1)C1CC1
InChIInChI=1S/C16H20N4O2S/c1-16(10-17,11-4-5-11)19-13(21)9-20-7-6-18-15(22)14(20)12-3-2-8-23-12/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,22)(H,19,21)/t14-,16+/m1/s1
InChIKeyXUTZFJGGEOVDBI-ZBFHGGJFSA-N
XLogP1.03
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903262
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31992247
4-(2-hydroxyethyl)-3-thiophen-2-ylpiperazin-2-one
CID 3070021
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide
CID 95903256
4-[2-(methylamino)acetyl]-3-thiophen-2-ylpiperazin-2-one
CID 119801487
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128230
2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 122137345
N-(1-cyano-1-cyclopropylethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]acetamide
CID 136533412
3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
CID 3070020
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720792
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
CID 154784618

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide (CID 129424931) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide is C[C@@](C#N)(NC(=O)CN1CCNC(=O)[C@H]1c1cccs1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
The InChIKey is XUTZFJGGEOVDBI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(10-17,11-4-5-11)19-13(21)9-20-7-6-18-15(22)14(20)12-3-2-8-23-12/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,22)(H,19,21)/t14-,16+/m1/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-3-oxo-2-thiophen-2-ylpiperazin-1-yl]acetamide is sourced from PubChem (CID 129424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).