1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one

C17H22N4O2 — CID 74231008

IUPAC1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(-c3ccn[nH]3)o2)CCN1C1CCCC1
InChIInChI=1S/C17H22N4O2/c22-17-12-20(9-10-21(17)13-3-1-2-4-13)11-14-5-6-16(23-14)15-7-8-18-19-15/h5-8,13H,1-4,9-12H2,(H,18,19)
InChIKeyIWKZJVWVMHLQAU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.26
Rot. Bonds4

About 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one

1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one (PubChem CID 74231008) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
PubChem CID74231008
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(-c3ccn[nH]3)o2)CCN1C1CCCC1
InChIInChI=1S/C17H22N4O2/c22-17-12-20(9-10-21(17)13-3-1-2-4-13)11-14-5-6-16(23-14)15-7-8-18-19-15/h5-8,13H,1-4,9-12H2,(H,18,19)
InChIKeyIWKZJVWVMHLQAU-UHFFFAOYSA-N
XLogP2.26
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 56891453
(3R,4R)-4-(azepan-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 42286515
(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96574645
ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
(1S,5R)-9-methyl-7-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135117329
4-chloro-1-[(3S)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]pyrazole
CID 164639856
(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 70742072
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
CID 50953242
(1S,5R)-6-(3-methylbut-2-enyl)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70785582
(1S,5R)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72913412
1-cyclopentyl-4-(quinolin-2-ylmethyl)piperazin-2-one
CID 46981331
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one (CID 74231008) is 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one is O=C1CN(Cc2ccc(-c3ccn[nH]3)o2)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one?
The InChIKey is IWKZJVWVMHLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17-12-20(9-10-21(17)13-3-1-2-4-13)11-14-5-6-16(23-14)15-7-8-18-19-15/h5-8,13H,1-4,9-12H2,(H,18,19).
What are the key properties of 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one?
1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 74231008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).