1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea

C19H25N5O2 — CID 121109156

IUPAC1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-2-26-17-5-3-16(4-6-17)23-19(25)22-13-15-7-11-24(12-8-15)18-14-20-9-10-21-18/h3-6,9-10,14-15H,2,7-8,11-13H2,1H3,(H2,22,23,25)
InChIKeyVGZDLQZPVIUGDS-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.91
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea

1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea (PubChem CID 121109156) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
PubChem CID121109156
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCC2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H25N5O2/c1-2-26-17-5-3-16(4-6-17)23-19(25)22-13-15-7-11-24(12-8-15)18-14-20-9-10-21-18/h3-6,9-10,14-15H,2,7-8,11-13H2,1H3,(H2,22,23,25)
InChIKeyVGZDLQZPVIUGDS-UHFFFAOYSA-N
XLogP2.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
1-(4-ethoxyphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521691
methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
CID 124559977
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71786624
4-ethoxy-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)benzamide
CID 136538206
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
2-(4-ethoxyphenyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318049
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea (CID 121109156) is 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea is CCOc1ccc(NC(=O)NCC2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
The InChIKey is VGZDLQZPVIUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-26-17-5-3-16(4-6-17)23-19(25)22-13-15-7-11-24(12-8-15)18-14-20-9-10-21-18/h3-6,9-10,14-15H,2,7-8,11-13H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea?
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea has a molecular weight of 355.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 121109156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).