4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one

C17H20N4O2 — CID 129352976

IUPAC4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
SMILESCC1(C)OC(=O)c2c1ccnc2N1CCC[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C17H20N4O2/c1-17(2)12-5-6-20-15(13(12)16(22)23-17)21-9-3-4-11(10-21)14-18-7-8-19-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyDSNRVFNJPKHLFH-NSHDSACASA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds2

About 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one

4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one (PubChem CID 129352976) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
PubChem CID129352976
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one
SMILESCC1(C)OC(=O)c2c1ccnc2N1CCC[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C17H20N4O2/c1-17(2)12-5-6-20-15(13(12)16(22)23-17)21-9-3-4-11(10-21)14-18-7-8-19-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyDSNRVFNJPKHLFH-NSHDSACASA-N
XLogP2.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The IUPAC name of 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one (CID 129352976) is 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one is CC1(C)OC(=O)c2c1ccnc2N1CCC[C@H](c2ncc[nH]2)C1.
What is the InChIKey of 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
The InChIKey is DSNRVFNJPKHLFH-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2)12-5-6-20-15(13(12)16(22)23-17)21-9-3-4-11(10-21)14-18-7-8-19-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one?
4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one has a molecular weight of 312.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-1,1-dimethylfuro[3,4-c]pyridin-3-one is sourced from PubChem (CID 129352976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).