1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone

C19H26N4O — CID 24790635

IUPAC1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCN(CCc1ccccc1)C1CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C19H26N4O/c1-21(14-10-17-7-3-2-4-8-17)18-9-5-12-22(15-18)19(24)16-23-13-6-11-20-23/h2-4,6-8,11,13,18H,5,9-10,12,14-16H2,1H3
InChIKeyKXCKXQLJIWPCPY-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.05
Rot. Bonds6

About 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 24790635) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID24790635
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCN(CCc1ccccc1)C1CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C19H26N4O/c1-21(14-10-17-7-3-2-4-8-17)18-9-5-12-22(15-18)19(24)16-23-13-6-11-20-23/h2-4,6-8,11,13,18H,5,9-10,12,14-16H2,1H3
InChIKeyKXCKXQLJIWPCPY-UHFFFAOYSA-N
XLogP2.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 24790635) is 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone is CN(CCc1ccccc1)C1CCCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is KXCKXQLJIWPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-21(14-10-17-7-3-2-4-8-17)18-9-5-12-22(15-18)19(24)16-23-13-6-11-20-23/h2-4,6-8,11,13,18H,5,9-10,12,14-16H2,1H3.
What are the key properties of 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 326.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 24790635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).