3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one

C17H24N4O2 — CID 129332667

IUPAC3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESC[C@@H](CCc1ccco1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C17H24N4O2/c1-13(6-7-15-5-3-11-23-15)20-14-4-2-10-21(12-14)16-17(22)19-9-8-18-16/h3,5,8-9,11,13-14,20H,2,4,6-7,10,12H2,1H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyDQVFYYHFVKEDNJ-UONOGXRCSA-N
MW316.40 g/mol
LogP1.94
Rot. Bonds6

About 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129332667) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129332667
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESC[C@@H](CCc1ccco1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C17H24N4O2/c1-13(6-7-15-5-3-11-23-15)20-14-4-2-10-21(12-14)16-17(22)19-9-8-18-16/h3,5,8-9,11,13-14,20H,2,4,6-7,10,12H2,1H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyDQVFYYHFVKEDNJ-UONOGXRCSA-N
XLogP1.94
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

3-(furan-2-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129475291
3-[(3R)-3-[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129334795
3-[4-[(3S)-1-(furan-2-ylmethyl)piperidine-3-carbonyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 99978204
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 129473040
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128974893
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
3-(furan-3-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129339480
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129337236
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]cycloheptan-1-amine
CID 65082213

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129332667) is 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one is C[C@@H](CCc1ccco1)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is DQVFYYHFVKEDNJ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(6-7-15-5-3-11-23-15)20-14-4-2-10-21(12-14)16-17(22)19-9-8-18-16/h3,5,8-9,11,13-14,20H,2,4,6-7,10,12H2,1H3,(H,19,22)/t13-,14+/m0/s1.
What are the key properties of 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129332667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).