3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one

C19H25N5O3 — CID 99978204

IUPAC3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H25N5O3/c25-18-17(20-5-6-21-18)23-8-10-24(11-9-23)19(26)15-3-1-7-22(13-15)14-16-4-2-12-27-16/h2,4-6,12,15H,1,3,7-11,13-14H2,(H,21,25)/t15-/m0/s1
InChIKeyFFTZCRPTERFOQE-HNNXBMFYSA-N
MW371.44 g/mol
LogP0.92
Rot. Bonds4

About 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 99978204) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID99978204
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H25N5O3/c25-18-17(20-5-6-21-18)23-8-10-24(11-9-23)19(26)15-3-1-7-22(13-15)14-16-4-2-12-27-16/h2,4-6,12,15H,1,3,7-11,13-14H2,(H,21,25)/t15-/m0/s1
InChIKeyFFTZCRPTERFOQE-HNNXBMFYSA-N
XLogP0.92
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 97192888
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129475291
[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72840488
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72930514
8-[(3R)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 97276236
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 72838935

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 99978204) is 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one is O=C([C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is FFTZCRPTERFOQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-18-17(20-5-6-21-18)23-8-10-24(11-9-23)19(26)15-3-1-7-22(13-15)14-16-4-2-12-27-16/h2,4-6,12,15H,1,3,7-11,13-14H2,(H,21,25)/t15-/m0/s1.
What are the key properties of 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 371.44 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 99978204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).