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

C18H23N5O2 — CID 170788464

IUPAC3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(CO)cc1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H23N5O2/c1-22(18(25)21-15-4-2-14(13-24)3-5-15)16-6-10-23(11-7-16)17-12-19-8-9-20-17/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3,(H,21,25)
InChIKeyUEJAPLNXJIFTJS-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.10
Rot. Bonds4

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

3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 170788464) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID170788464
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(CO)cc1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H23N5O2/c1-22(18(25)21-15-4-2-14(13-24)3-5-15)16-6-10-23(11-7-16)17-12-19-8-9-20-17/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3,(H,21,25)
InChIKeyUEJAPLNXJIFTJS-UHFFFAOYSA-N
XLogP2.10
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 136537844
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
4-ethoxy-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)benzamide
CID 136538206
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118779226

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 170788464) is 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea is CN(C(=O)Nc1ccc(CO)cc1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is UEJAPLNXJIFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(18(25)21-15-4-2-14(13-24)3-5-15)16-6-10-23(11-7-16)17-12-19-8-9-20-17/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3,(H,21,25).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea?
3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 341.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 170788464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).