[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate

C22H26N2O5 — CID 7440342

IUPAC[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C22H26N2O5/c1-14-8-6-9-15(2)24(14)21(26)16(3)29-22(27)17-10-4-5-11-18(17)23-20(25)19-12-7-13-28-19/h4-5,7,10-16H,6,8-9H2,1-3H3,(H,23,25)/t14-,15-,16+/m0/s1
InChIKeyFQQBXVPWUGMHLO-HRCADAONSA-N
MW398.46 g/mol
LogP3.87
Rot. Bonds5

About [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate

[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 7440342) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
PubChem CID7440342
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C22H26N2O5/c1-14-8-6-9-15(2)24(14)21(26)16(3)29-22(27)17-10-4-5-11-18(17)23-20(25)19-12-7-13-28-19/h4-5,7,10-16H,6,8-9H2,1-3H3,(H,23,25)/t14-,15-,16+/m0/s1
InChIKeyFQQBXVPWUGMHLO-HRCADAONSA-N
XLogP3.87
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2600932
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2632058
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2601027
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 5124674
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 42984081
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 11903429
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 2601008
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440371
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 7734307
N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 25357652
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate
CID 16533726

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate (CID 7440342) is [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate is C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N1[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is FQQBXVPWUGMHLO-HRCADAONSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14-8-6-9-15(2)24(14)21(26)16(3)29-22(27)17-10-4-5-11-18(17)23-20(25)19-12-7-13-28-19/h4-5,7,10-16H,6,8-9H2,1-3H3,(H,23,25)/t14-,15-,16+/m0/s1.
What are the key properties of [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate?
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 398.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7440342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).