N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C16H24N4O2S — CID 51084110

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)N2CCCC2c2ccsc2)CC1
InChIInChI=1S/C16H24N4O2S/c17-15(21)10-19-7-3-13(4-8-19)18-16(22)20-6-1-2-14(20)12-5-9-23-11-12/h5,9,11,13-14H,1-4,6-8,10H2,(H2,17,21)(H,18,22)
InChIKeySCFJLEGCTUEKBH-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.54
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 51084110) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID51084110
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)N2CCCC2c2ccsc2)CC1
InChIInChI=1S/C16H24N4O2S/c17-15(21)10-19-7-3-13(4-8-19)18-16(22)20-6-1-2-14(20)12-5-9-23-11-12/h5,9,11,13-14H,1-4,6-8,10H2,(H2,17,21)(H,18,22)
InChIKeySCFJLEGCTUEKBH-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 51084110) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is NC(=O)CN1CCC(NC(=O)N2CCCC2c2ccsc2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is SCFJLEGCTUEKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c17-15(21)10-19-7-3-13(4-8-19)18-16(22)20-6-1-2-14(20)12-5-9-23-11-12/h5,9,11,13-14H,1-4,6-8,10H2,(H2,17,21)(H,18,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-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 N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51084110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).