3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol

C19H32N4O — CID 91788611

IUPAC3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
SMILESCn1cc(C(NC2CCN(C3CCCC3)CC2)C2CC(O)C2)cn1
InChIInChI=1S/C19H32N4O/c1-22-13-15(12-20-22)19(14-10-18(24)11-14)21-16-6-8-23(9-7-16)17-4-2-3-5-17/h12-14,16-19,21,24H,2-11H2,1H3
InChIKeyQIWKZJIJEPPETA-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.23
Rot. Bonds5

About 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol

3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol (PubChem CID 91788611) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
PubChem CID91788611
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol
SMILESCn1cc(C(NC2CCN(C3CCCC3)CC2)C2CC(O)C2)cn1
InChIInChI=1S/C19H32N4O/c1-22-13-15(12-20-22)19(14-10-18(24)11-14)21-16-6-8-23(9-7-16)17-4-2-3-5-17/h12-14,16-19,21,24H,2-11H2,1H3
InChIKeyQIWKZJIJEPPETA-UHFFFAOYSA-N
XLogP2.23
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol (CID 91788611) is 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol is Cn1cc(C(NC2CCN(C3CCCC3)CC2)C2CC(O)C2)cn1.
What is the InChIKey of 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
The InChIKey is QIWKZJIJEPPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-22-13-15(12-20-22)19(14-10-18(24)11-14)21-16-6-8-23(9-7-16)17-4-2-3-5-17/h12-14,16-19,21,24H,2-11H2,1H3.
What are the key properties of 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol?
3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol has a molecular weight of 332.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopentylpiperidin-4-yl)amino]-(1-methylpyrazol-4-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 91788611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).