1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea

C19H26N4OS — CID 44611610

IUPAC1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea
SMILESO=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccs2)nc1
InChIInChI=1S/C19H26N4OS/c24-19(20-10-2-5-13-23-11-3-1-4-12-23)22-16-8-9-17(21-15-16)18-7-6-14-25-18/h6-9,14-15H,1-5,10-13H2,(H2,20,22,24)
InChIKeyZZTMSRRDIITPAW-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.20
Rot. Bonds7

About 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea

1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea (PubChem CID 44611610) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea
PubChem CID44611610
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea
SMILESO=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccs2)nc1
InChIInChI=1S/C19H26N4OS/c24-19(20-10-2-5-13-23-11-3-1-4-12-23)22-16-8-9-17(21-15-16)18-7-6-14-25-18/h6-9,14-15H,1-5,10-13H2,(H2,20,22,24)
InChIKeyZZTMSRRDIITPAW-UHFFFAOYSA-N
XLogP4.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea?
The IUPAC name of 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea (CID 44611610) is 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea is O=C(NCCCCN1CCCCC1)Nc1ccc(-c2cccs2)nc1.
What is the InChIKey of 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea?
The InChIKey is ZZTMSRRDIITPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c24-19(20-10-2-5-13-23-11-3-1-4-12-23)22-16-8-9-17(21-15-16)18-7-6-14-25-18/h6-9,14-15H,1-5,10-13H2,(H2,20,22,24).
What are the key properties of 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea?
1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea has a molecular weight of 358.51 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylbutyl)-3-(6-thiophen-2-yl-3-pyridinyl)urea is sourced from PubChem (CID 44611610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).