N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide

C27H28FN3O4 — CID 93198867

IUPACN-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C27H28FN3O4/c1-18-5-2-6-20(15-18)25(32)30-24(26(33)29-17-23-9-4-14-35-23)19-10-12-31(13-11-19)27(34)21-7-3-8-22(28)16-21/h2-9,14-16,19,24H,10-13,17H2,1H3,(H,29,33)(H,30,32)/t24-/m1/s1
InChIKeyUWHHKQSHSJDGAA-XMMPIXPASA-N
MW477.54 g/mol
LogP3.69
Rot. Bonds7

About N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide

N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 93198867) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
PubChem CID93198867
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC NameN-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C27H28FN3O4/c1-18-5-2-6-20(15-18)25(32)30-24(26(33)29-17-23-9-4-14-35-23)19-10-12-31(13-11-19)27(34)21-7-3-8-22(28)16-21/h2-9,14-16,19,24H,10-13,17H2,1H3,(H,29,33)(H,30,32)/t24-/m1/s1
InChIKeyUWHHKQSHSJDGAA-XMMPIXPASA-N
XLogP3.69
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020083
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbenzamide
CID 93198983
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
N-ethyl-4-[(1S)-1-[(4-fluorobenzoyl)amino]-2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 93178844
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 46020304
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198889
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196675
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 93198154
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019114
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199454

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide (CID 93198867) is N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is UWHHKQSHSJDGAA-XMMPIXPASA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-18-5-2-6-20(15-18)25(32)30-24(26(33)29-17-23-9-4-14-35-23)19-10-12-31(13-11-19)27(34)21-7-3-8-22(28)16-21/h2-9,14-16,19,24H,10-13,17H2,1H3,(H,29,33)(H,30,32)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide?
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 477.54 g/mol, XLogP of 3.69, 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-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 93198867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).