1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

C22H28N6O2S — CID 86884535

IUPAC1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCC(c3cccs3)N3CCOCC3)CC2)nc1
InChIInChI=1S/C22H28N6O2S/c23-14-17-3-4-21(24-15-17)28-7-5-18(6-8-28)26-22(29)25-16-19(20-2-1-13-31-20)27-9-11-30-12-10-27/h1-4,13,15,18-19H,5-12,16H2,(H2,25,26,29)
InChIKeyUAEQWTYFUHXHCH-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.36
Rot. Bonds6

About 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea

1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (PubChem CID 86884535) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
PubChem CID86884535
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCC(c3cccs3)N3CCOCC3)CC2)nc1
InChIInChI=1S/C22H28N6O2S/c23-14-17-3-4-21(24-15-17)28-7-5-18(6-8-28)26-22(29)25-16-19(20-2-1-13-31-20)27-9-11-30-12-10-27/h1-4,13,15,18-19H,5-12,16H2,(H2,25,26,29)
InChIKeyUAEQWTYFUHXHCH-UHFFFAOYSA-N
XLogP2.36
TPSA93.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea with MolForge

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Related Compounds

1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-hydroxy-2-pyridin-4-ylethyl)urea
CID 146129615
1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 86884444
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335288
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-cyclobutyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 119146331
1-cyclopentyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110991592
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
2-[(4-cyanophenyl)methyl]-1-ethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283670
1-(4-cyanophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 42951356
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentanamine
CID 167947795

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea (CID 86884535) is 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is N#Cc1ccc(N2CCC(NC(=O)NCC(c3cccs3)N3CCOCC3)CC2)nc1.
What is the InChIKey of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
The InChIKey is UAEQWTYFUHXHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c23-14-17-3-4-21(24-15-17)28-7-5-18(6-8-28)26-22(29)25-16-19(20-2-1-13-31-20)27-9-11-30-12-10-27/h1-4,13,15,18-19H,5-12,16H2,(H2,25,26,29).
What are the key properties of 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea?
1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea has a molecular weight of 440.57 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 86884535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).