1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea

C19H25N5O2 — CID 133468525

IUPAC1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea
SMILESCC(C)Oc1nccnc1N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H25N5O2/c1-14(2)26-18-17(20-10-11-21-18)24-12-8-16(9-13-24)23-19(25)22-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyIUYPKJIFLXTKQE-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.05
Rot. Bonds5

About 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea

1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea (PubChem CID 133468525) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea
PubChem CID133468525
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea
SMILESCC(C)Oc1nccnc1N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H25N5O2/c1-14(2)26-18-17(20-10-11-21-18)24-12-8-16(9-13-24)23-19(25)22-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H2,22,23,25)
InChIKeyIUYPKJIFLXTKQE-UHFFFAOYSA-N
XLogP3.05
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]benzamide
CID 133442168
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
CID 91648209
(4-methylpiperidin-1-yl)-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]methanone
CID 133442490
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55746318
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 24750878
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea (CID 133468525) is 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea is CC(C)Oc1nccnc1N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea?
The InChIKey is IUYPKJIFLXTKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(2)26-18-17(20-10-11-21-18)24-12-8-16(9-13-24)23-19(25)22-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea?
1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea has a molecular weight of 355.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 133468525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).