1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea

C18H25N5O — CID 56794122

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea
SMILESCC1CC(N(C)C(=O)Nc2cn[nH]c2)CCN1Cc1ccccc1
InChIInChI=1S/C18H25N5O/c1-14-10-17(22(2)18(24)21-16-11-19-20-12-16)8-9-23(14)13-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyVIWITGWASRFIIL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.93
Rot. Bonds4

About 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea

1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea (PubChem CID 56794122) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea
PubChem CID56794122
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea
SMILESCC1CC(N(C)C(=O)Nc2cn[nH]c2)CCN1Cc1ccccc1
InChIInChI=1S/C18H25N5O/c1-14-10-17(22(2)18(24)21-16-11-19-20-12-16)8-9-23(14)13-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyVIWITGWASRFIIL-UHFFFAOYSA-N
XLogP2.93
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 24896062
Rock-IN-D2
CID 45380564
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54580343
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinoxalin-1(2H)-yl)methanone
CID 54583350
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-methyl-3,4-dihydroquinoxalin-1(2H)-yl)methanone
CID 54584300
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
Rock-IN-D3
CID 68520643
1-[(3-methylphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561683
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-[(3-aminophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562627
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563753

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea (CID 56794122) is 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea is CC1CC(N(C)C(=O)Nc2cn[nH]c2)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
The InChIKey is VIWITGWASRFIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-10-17(22(2)18(24)21-16-11-19-20-12-16)8-9-23(14)13-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3,(H,19,20)(H,21,24).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 56794122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).