3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

C18H28N4O — CID 84586642

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1CC2CCCC2C1
InChIInChI=1S/C18H28N4O/c23-18(21-12-15-5-4-6-16(15)13-21)17-11-19-22(14-17)10-9-20-7-2-1-3-8-20/h11,14-16H,1-10,12-13H2
InChIKeyVSILUGHFGOPLJV-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.24
Rot. Bonds4

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (PubChem CID 84586642) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
PubChem CID84586642
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(CCN2CCCCC2)c1)N1CC2CCCC2C1
InChIInChI=1S/C18H28N4O/c23-18(21-12-15-5-4-6-16(15)13-21)17-11-19-22(14-17)10-9-20-7-2-1-3-8-20/h11,14-16H,1-10,12-13H2
InChIKeyVSILUGHFGOPLJV-UHFFFAOYSA-N
XLogP2.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-(2-piperidin-1-ylethyl)pyrazole-4-carboxylate
CID 79003972
[(3aS,6aR)-3a-fluoro-6a-(hydroxymethyl)-3,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 166296580
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
[(3aR,7aR)-5-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4-methylphenyl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155855726
oxalic acid;1-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 67459493
[(3aR,4R,7aS)-4-(pyrazin-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 155984112
(1-ethylpyrazol-4-yl)-[3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 156603563
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
3-[(3R)-1-(1-propylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 129401379
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-ethylpyrazol-4-yl)methanone;hydrochloride
CID 119636568
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazole-4-carboxamide
CID 139417661
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone (CID 84586642) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is O=C(c1cnn(CCN2CCCCC2)c1)N1CC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
The InChIKey is VSILUGHFGOPLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(21-12-15-5-4-6-16(15)13-21)17-11-19-22(14-17)10-9-20-7-2-1-3-8-20/h11,14-16H,1-10,12-13H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone has a molecular weight of 316.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 84586642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).