N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

C25H33N3O4 — CID 93199025

IUPACN-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C25H33N3O4/c1-16(2)18(4)26-24(30)22(27-23(29)20-8-5-7-17(3)15-20)19-10-12-28(13-11-19)25(31)21-9-6-14-32-21/h5-9,14-16,18-19,22H,10-13H2,1-4H3,(H,26,30)(H,27,29)/t18-,22-/m1/s1
InChIKeyXFBMWGNAQYPDIJ-XMSQKQJNSA-N
MW439.56 g/mol
LogP3.40
Rot. Bonds7

About N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 93199025) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID93199025
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C25H33N3O4/c1-16(2)18(4)26-24(30)22(27-23(29)20-8-5-7-17(3)15-20)19-10-12-28(13-11-19)25(31)21-9-6-14-32-21/h5-9,14-16,18-19,22H,10-13H2,1-4H3,(H,26,30)(H,27,29)/t18-,22-/m1/s1
InChIKeyXFBMWGNAQYPDIJ-XMSQKQJNSA-N
XLogP3.40
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 93199023
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199777
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020155
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]benzamide
CID 93198002
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198583
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019494
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198889
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-3-methylbenzamide
CID 42840409
N-[2-(cyclopropylamino)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 42840457
N-[(1S)-2-(diethylamino)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198067

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 93199025) is N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C(=O)N[C@H](C)C(C)C)C2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is XFBMWGNAQYPDIJ-XMSQKQJNSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-16(2)18(4)26-24(30)22(27-23(29)20-8-5-7-17(3)15-20)19-10-12-28(13-11-19)25(31)21-9-6-14-32-21/h5-9,14-16,18-19,22H,10-13H2,1-4H3,(H,26,30)(H,27,29)/t18-,22-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 439.56 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 93199025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).