1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone

C22H34N4O2 — CID 167954604

IUPAC1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(C3CCCN(C(=O)C4CCCCC4)C3)C2)n[nH]1
InChIInChI=1S/C22H34N4O2/c1-16-12-20(24-23-16)13-21(27)25-11-9-19(14-25)18-8-5-10-26(15-18)22(28)17-6-3-2-4-7-17/h12,17-19H,2-11,13-15H2,1H3,(H,23,24)
InChIKeyGIJBCUMSVLFHSL-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.93
Rot. Bonds4

About 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone

1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone (PubChem CID 167954604) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
PubChem CID167954604
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC(C3CCCN(C(=O)C4CCCCC4)C3)C2)n[nH]1
InChIInChI=1S/C22H34N4O2/c1-16-12-20(24-23-16)13-21(27)25-11-9-19(14-25)18-8-5-10-26(15-18)22(28)17-6-3-2-4-7-17/h12,17-19H,2-11,13-15H2,1H3,(H,23,24)
InChIKeyGIJBCUMSVLFHSL-UHFFFAOYSA-N
XLogP2.93
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
CID 110848830
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 119934619
1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
cyclohexyl-[(3R)-3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124962814
2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 167753439
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 124590634
cyclohexyl-[(3R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 95842111
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120815701
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030160

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The IUPAC name of 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone (CID 167954604) is 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The canonical SMILES for 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone is Cc1cc(CC(=O)N2CCC(C3CCCN(C(=O)C4CCCCC4)C3)C2)n[nH]1.
What is the InChIKey of 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
The InChIKey is GIJBCUMSVLFHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16-12-20(24-23-16)13-21(27)25-11-9-19(14-25)18-8-5-10-26(15-18)22(28)17-6-3-2-4-7-17/h12,17-19H,2-11,13-15H2,1H3,(H,23,24).
What are the key properties of 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone?
1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone has a molecular weight of 386.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone is sourced from PubChem (CID 167954604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).