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

C18H25N5O — CID 71860471

IUPAC1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea
SMILESCC1CN(Cc2ccccc2)CCC1N(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C18H25N5O/c1-14-12-23(13-15-6-4-3-5-7-15)9-8-17(14)22(2)18(24)21-16-10-19-20-11-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyVQULJIDCTITNTP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.78
Rot. Bonds4

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

1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea (PubChem CID 71860471) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea
PubChem CID71860471
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea
SMILESCC1CN(Cc2ccccc2)CCC1N(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C18H25N5O/c1-14-12-23(13-15-6-4-3-5-7-15)9-8-17(14)22(2)18(24)21-16-10-19-20-11-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyVQULJIDCTITNTP-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea (CID 71860471) is 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea is CC1CN(Cc2ccccc2)CCC1N(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
The InChIKey is VQULJIDCTITNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-12-23(13-15-6-4-3-5-7-15)9-8-17(14)22(2)18(24)21-16-10-19-20-11-16/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,19,20)(H,21,24).
What are the key properties of 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea?
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 71860471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).