2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

C23H32N6O2 — CID 110085786

IUPAC2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCCn1ccc(C(=O)N2CCCC(CC(=O)N3CCN(Cc4ccccn4)CC3)C2)n1
InChIInChI=1S/C23H32N6O2/c1-2-29-11-8-21(25-29)23(31)28-10-5-6-19(17-28)16-22(30)27-14-12-26(13-15-27)18-20-7-3-4-9-24-20/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3
InChIKeyFPUJBAUALRINNS-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.88
Rot. Bonds6

About 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 110085786) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID110085786
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCCn1ccc(C(=O)N2CCCC(CC(=O)N3CCN(Cc4ccccn4)CC3)C2)n1
InChIInChI=1S/C23H32N6O2/c1-2-29-11-8-21(25-29)23(31)28-10-5-6-19(17-28)16-22(30)27-14-12-26(13-15-27)18-20-7-3-4-9-24-20/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3
InChIKeyFPUJBAUALRINNS-UHFFFAOYSA-N
XLogP1.88
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92590234
1-[3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]pyrazole-3-carboxylic acid
CID 19470852
2-[(3R)-oxolan-3-yl]-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 126445697
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110256639
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124950270
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 110085839

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone (CID 110085786) is 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is CCn1ccc(C(=O)N2CCCC(CC(=O)N3CCN(Cc4ccccn4)CC3)C2)n1.
What is the InChIKey of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FPUJBAUALRINNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-2-29-11-8-21(25-29)23(31)28-10-5-6-19(17-28)16-22(30)27-14-12-26(13-15-27)18-20-7-3-4-9-24-20/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3.
What are the key properties of 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone?
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 424.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110085786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).