N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide

C22H27N3O4 — CID 51965104

IUPACN-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O4/c1-16(23-22(28)18-11-14-29-15-18)21(27)24-19-9-12-25(13-10-19)20(26)8-7-17-5-3-2-4-6-17/h2-6,11,14-16,19H,7-10,12-13H2,1H3,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyKTPUEAXMKSALMY-INIZCTEOSA-N
MW397.48 g/mol
LogP2.14
Rot. Bonds7

About N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide

N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide (PubChem CID 51965104) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
PubChem CID51965104
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O4/c1-16(23-22(28)18-11-14-29-15-18)21(27)24-19-9-12-25(13-10-19)20(26)8-7-17-5-3-2-4-6-17/h2-6,11,14-16,19H,7-10,12-13H2,1H3,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyKTPUEAXMKSALMY-INIZCTEOSA-N
XLogP2.14
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-oxo-1-[(1-propylsulfonylpiperidin-4-yl)amino]propan-2-yl]furan-3-carboxamide
CID 55839167
N-[1-(2-benzylpyrrolidin-1-yl)-1-oxopropan-2-yl]furan-3-carboxamide
CID 51086592
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
CID 120986204
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide (CID 51965104) is N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide?
The InChIKey is KTPUEAXMKSALMY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(23-22(28)18-11-14-29-15-18)21(27)24-19-9-12-25(13-10-19)20(26)8-7-17-5-3-2-4-6-17/h2-6,11,14-16,19H,7-10,12-13H2,1H3,(H,23,28)(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide?
N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 51965104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).