1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one

C16H23N5O2 — CID 155937649

IUPAC1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one
SMILESO=C(c1cnn2c1CCC2)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C16H23N5O2/c22-15-10-17-5-8-20(15)12-3-1-6-19(11-12)16(23)13-9-18-21-7-2-4-14(13)21/h9,12,17H,1-8,10-11H2
InChIKeyATFVBHBMIJFQKE-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.13
Rot. Bonds2

About 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one

1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one (PubChem CID 155937649) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one
PubChem CID155937649
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one
SMILESO=C(c1cnn2c1CCC2)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C16H23N5O2/c22-15-10-17-5-8-20(15)12-3-1-6-19(11-12)16(23)13-9-18-21-7-2-4-14(13)21/h9,12,17H,1-8,10-11H2
InChIKeyATFVBHBMIJFQKE-UHFFFAOYSA-N
XLogP-0.13
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one with MolForge

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Related Compounds

1-[(3R)-1-[(2S,3S)-2-methylpiperidine-3-carbonyl]piperidin-3-yl]piperazin-2-one
CID 129347358
1-[1-(2-azabicyclo[2.2.2]octane-6-carbonyl)piperidin-3-yl]piperazin-2-one
CID 126816588
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-3-yl]piperazin-2-one;hydrochloride
CID 126794872
N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide
CID 129009431
1-[1-[(4-chloro-1-methylpyrazol-5-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844531
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide
CID 128751106
3-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936111
1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844533
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
(4aS,8aR)-1-(3-methylbutyl)-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70775612
1-[(3S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperidin-3-yl]pyrrolidin-2-one
CID 97235238

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one (CID 155937649) is 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one is O=C(c1cnn2c1CCC2)N1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one?
The InChIKey is ATFVBHBMIJFQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c22-15-10-17-5-8-20(15)12-3-1-6-19(11-12)16(23)13-9-18-21-7-2-4-14(13)21/h9,12,17H,1-8,10-11H2.
What are the key properties of 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one?
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 155937649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).