2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone

C20H34N4O — CID 72925091

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCCCC2CCn2cccn2)CC1
InChIInChI=1S/C20H34N4O/c1-17(2)22-13-7-18(8-14-22)16-20(25)24-12-4-3-6-19(24)9-15-23-11-5-10-21-23/h5,10-11,17-19H,3-4,6-9,12-16H2,1-2H3
InChIKeyXYVDCCMBDKKHJD-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.16
Rot. Bonds6

About 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone

2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 72925091) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID72925091
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(C)N1CCC(CC(=O)N2CCCCC2CCn2cccn2)CC1
InChIInChI=1S/C20H34N4O/c1-17(2)22-13-7-18(8-14-22)16-20(25)24-12-4-3-6-19(24)9-15-23-11-5-10-21-23/h5,10-11,17-19H,3-4,6-9,12-16H2,1-2H3
InChIKeyXYVDCCMBDKKHJD-UHFFFAOYSA-N
XLogP3.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-ethyl-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 24790120
1-(cyclohexylmethyl)-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24794076
1-(cyclohexylmethyl)-6-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 45221731
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
CID 52906708
1-[4-(Diethylaminomethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 53519876
2-Methyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 53557445
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
1-[(1-ethyl-4-piperidinyl)acetyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 72918909
7-isopropyl-2-[4-(1H-pyrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72936933
1-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethanone
CID 52906688
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-2-cyclopentylethanone
CID 52907327
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70720146

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone (CID 72925091) is 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone is CC(C)N1CCC(CC(=O)N2CCCCC2CCn2cccn2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is XYVDCCMBDKKHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-17(2)22-13-7-18(8-14-22)16-20(25)24-12-4-3-6-19(24)9-15-23-11-5-10-21-23/h5,10-11,17-19H,3-4,6-9,12-16H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 346.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 72925091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).