1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea

C19H33N5O2 — CID 86870917

IUPAC1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea
SMILESCCN1CCN(c2ccc(CNC(=O)NCCCCCOC)cn2)CC1
InChIInChI=1S/C19H33N5O2/c1-3-23-10-12-24(13-11-23)18-8-7-17(15-21-18)16-22-19(25)20-9-5-4-6-14-26-2/h7-8,15H,3-6,9-14,16H2,1-2H3,(H2,20,22,25)
InChIKeyKMEOAMSOKXRUAK-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.84
Rot. Bonds10

About 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea

1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea (PubChem CID 86870917) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea.

Molecular Properties

Compound Name1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea
PubChem CID86870917
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea
SMILESCCN1CCN(c2ccc(CNC(=O)NCCCCCOC)cn2)CC1
InChIInChI=1S/C19H33N5O2/c1-3-23-10-12-24(13-11-23)18-8-7-17(15-21-18)16-22-19(25)20-9-5-4-6-14-26-2/h7-8,15H,3-6,9-14,16H2,1-2H3,(H2,20,22,25)
InChIKeyKMEOAMSOKXRUAK-UHFFFAOYSA-N
XLogP1.84
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea?
The IUPAC name of 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea (CID 86870917) is 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea.
What is the SMILES notation for 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea?
The canonical SMILES for 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea is CCN1CCN(c2ccc(CNC(=O)NCCCCCOC)cn2)CC1.
What is the InChIKey of 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea?
The InChIKey is KMEOAMSOKXRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-23-10-12-24(13-11-23)18-8-7-17(15-21-18)16-22-19(25)20-9-5-4-6-14-26-2/h7-8,15H,3-6,9-14,16H2,1-2H3,(H2,20,22,25).
What are the key properties of 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea?
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea has a molecular weight of 363.51 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(5-methoxypentyl)urea is sourced from PubChem (CID 86870917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).