1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea

C18H23N5O — CID 91648209

IUPAC1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
SMILESCc1cnc(C)c(N2CCC(NC(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-12-19-14(2)17(20-13)23-10-8-16(9-11-23)22-18(24)21-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H2,21,22,24)
InChIKeyINOXCYZCBNUGSS-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.88
Rot. Bonds3

About 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea

1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea (PubChem CID 91648209) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
PubChem CID91648209
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
SMILESCc1cnc(C)c(N2CCC(NC(=O)Nc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-12-19-14(2)17(20-13)23-10-8-16(9-11-23)22-18(24)21-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H2,21,22,24)
InChIKeyINOXCYZCBNUGSS-UHFFFAOYSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[1-(3-propan-2-yloxypyrazin-2-yl)piperidin-4-yl]urea
CID 133468525
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
ethyl 5-chloro-6-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 24750878
1-[1-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-4-yl]-3-phenylurea
CID 60570046
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133468526

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea (CID 91648209) is 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea is Cc1cnc(C)c(N2CCC(NC(=O)Nc3ccccc3)CC2)n1.
What is the InChIKey of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea?
The InChIKey is INOXCYZCBNUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-12-19-14(2)17(20-13)23-10-8-16(9-11-23)22-18(24)21-15-6-4-3-5-7-15/h3-7,12,16H,8-11H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea?
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea has a molecular weight of 325.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 91648209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).