(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C16H24N4O2S — CID 94030373

IUPAC(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1
InChIInChI=1S/C16H24N4O2S/c17-15(21)11-19-8-5-12(6-9-19)18-16(22)20-7-1-3-13(20)14-4-2-10-23-14/h2,4,10,12-13H,1,3,5-9,11H2,(H2,17,21)(H,18,22)/t13-/m0/s1
InChIKeyMBFTWPBMYMFNRK-ZDUSSCGKSA-N
MW336.46 g/mol
LogP1.54
Rot. Bonds4

About (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 94030373) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID94030373
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1
InChIInChI=1S/C16H24N4O2S/c17-15(21)11-19-8-5-12(6-9-19)18-16(22)20-7-1-3-13(20)14-4-2-10-23-14/h2,4,10,12-13H,1,3,5-9,11H2,(H2,17,21)(H,18,22)/t13-/m0/s1
InChIKeyMBFTWPBMYMFNRK-ZDUSSCGKSA-N
XLogP1.54
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
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CID 3236197
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
1-[3-(Morpholin-4-YL)propyl]-3-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-1-[(thiophen-2-YL)methyl]thiourea
CID 16193093
N-cyclopentyl-2-[[3-morpholinopropyl(2-thenyl)thiocarbamoyl]amino]acetamide
CID 16193095
Dimethyl-[2-methyl-1-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]propan-2-yl]azanium
CID 53350242
N-cyclohexyl-N~2~-[(2,5-dioxoimidazolidin-4-yl)acetyl]-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4234389
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 4522322
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310349
N-Cyclooctyl-2-({[3-(morpholin-4-YL)propyl][(thiophen-2-YL)methyl]carbamothioyl}amino)acetamide
CID 12005418

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 94030373) is (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is NC(=O)CN1CCC(NC(=O)N2CCC[C@H]2c2cccs2)CC1.
What is the InChIKey of (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is MBFTWPBMYMFNRK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2S/c17-15(21)11-19-8-5-12(6-9-19)18-16(22)20-7-1-3-13(20)14-4-2-10-23-14/h2,4,10,12-13H,1,3,5-9,11H2,(H2,17,21)(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94030373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).