N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C26H27N3O4 — CID 51728586

IUPACN-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C26H27N3O4/c30-24(27-21-13-15-29(16-14-21)26(32)20-10-5-2-6-11-20)22(18-19-8-3-1-4-9-19)28-25(31)23-12-7-17-33-23/h1-12,17,21-22H,13-16,18H2,(H,27,30)(H,28,31)/t22-/m1/s1
InChIKeyCOEOMILHEZIIID-JOCHJYFZSA-N
MW445.52 g/mol
LogP3.04
Rot. Bonds7

About N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 51728586) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID51728586
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccco1
InChIInChI=1S/C26H27N3O4/c30-24(27-21-13-15-29(16-14-21)26(32)20-10-5-2-6-11-20)22(18-19-8-3-1-4-9-19)28-25(31)23-12-7-17-33-23/h1-12,17,21-22H,13-16,18H2,(H,27,30)(H,28,31)/t22-/m1/s1
InChIKeyCOEOMILHEZIIID-JOCHJYFZSA-N
XLogP3.04
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 38208565
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 166257021
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 78780464

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 51728586) is N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccco1.
What is the InChIKey of N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is COEOMILHEZIIID-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-24(27-21-13-15-29(16-14-21)26(32)20-10-5-2-6-11-20)22(18-19-8-3-1-4-9-19)28-25(31)23-12-7-17-33-23/h1-12,17,21-22H,13-16,18H2,(H,27,30)(H,28,31)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51728586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).