3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea

C18H31N5O — CID 56787654

IUPAC3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea
SMILESCN(CCn1cccn1)C(=O)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H31N5O/c1-21(13-14-23-10-4-9-19-23)18(24)20-17-7-11-22(12-8-17)15-16-5-2-3-6-16/h4,9-10,16-17H,2-3,5-8,11-15H2,1H3,(H,20,24)
InChIKeyKWYPYXSPAOJVIM-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.18
Rot. Bonds6

About 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea

3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea (PubChem CID 56787654) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea
PubChem CID56787654
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea
SMILESCN(CCn1cccn1)C(=O)NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C18H31N5O/c1-21(13-14-23-10-4-9-19-23)18(24)20-17-7-11-22(12-8-17)15-16-5-2-3-6-16/h4,9-10,16-17H,2-3,5-8,11-15H2,1H3,(H,20,24)
InChIKeyKWYPYXSPAOJVIM-UHFFFAOYSA-N
XLogP2.18
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea (CID 56787654) is 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea is CN(CCn1cccn1)C(=O)NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
The InChIKey is KWYPYXSPAOJVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-21(13-14-23-10-4-9-19-23)18(24)20-17-7-11-22(12-8-17)15-16-5-2-3-6-16/h4,9-10,16-17H,2-3,5-8,11-15H2,1H3,(H,20,24).
What are the key properties of 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea?
3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 56787654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).