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

C18H23N5O — CID 124559977

IUPAC1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@H]2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C18H23N5O/c1-14-4-6-16(7-5-14)22-18(24)21-11-15-3-2-10-23(13-15)17-12-19-8-9-20-17/h4-9,12,15H,2-3,10-11,13H2,1H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyZOAXUHGSAYXZKE-OAHLLOKOSA-N
MW325.42 g/mol
LogP2.82
Rot. Bonds4

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

1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea (PubChem CID 124559977) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
PubChem CID124559977
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NC[C@H]2CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C18H23N5O/c1-14-4-6-16(7-5-14)22-18(24)21-11-15-3-2-10-23(13-15)17-12-19-8-9-20-17/h4-9,12,15H,2-3,10-11,13H2,1H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyZOAXUHGSAYXZKE-OAHLLOKOSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335
1-(4-methylphenyl)-3-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methyl]urea
CID 51134808
N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]propan-1-amine
CID 62586883
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]urea
CID 125156208
1-(4-methylphenyl)-3-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 52523350
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea (CID 124559977) is 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea is Cc1ccc(NC(=O)NC[C@H]2CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea?
The InChIKey is ZOAXUHGSAYXZKE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-4-6-16(7-5-14)22-18(24)21-11-15-3-2-10-23(13-15)17-12-19-8-9-20-17/h4-9,12,15H,2-3,10-11,13H2,1H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea?
1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea has a molecular weight of 325.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 124559977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).