2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide

C30H31F2N3O3 — CID 171681568

IUPAC2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(C2CCN(C(=O)c3c(C)cccc3F)CC2)cc1
InChIInChI=1S/C30H31F2N3O3/c1-19-5-3-8-26(32)28(19)30(38)35-15-13-23(14-16-35)22-9-11-25(12-10-22)34-29(37)27(33-20(2)36)18-21-6-4-7-24(31)17-21/h3-12,17,23,27H,13-16,18H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyYLFMVBLFZMBEGH-UHFFFAOYSA-N
MW519.59 g/mol
LogP4.98
Rot. Bonds7

About 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide

2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide (PubChem CID 171681568) has the molecular formula C30H31F2N3O3 and a molecular weight of 519.59 g/mol. Its IUPAC name is 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide
PubChem CID171681568
Molecular FormulaC30H31F2N3O3
Molecular Weight519.59 g/mol
Exact Mass519.23
IUPAC Name2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide
SMILESCC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(C2CCN(C(=O)c3c(C)cccc3F)CC2)cc1
InChIInChI=1S/C30H31F2N3O3/c1-19-5-3-8-26(32)28(19)30(38)35-15-13-23(14-16-35)22-9-11-25(12-10-22)34-29(37)27(33-20(2)36)18-21-6-4-7-24(31)17-21/h3-12,17,23,27H,13-16,18H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyYLFMVBLFZMBEGH-UHFFFAOYSA-N
XLogP4.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[4-[1-(2-cyclopropylbenzoyl)piperidin-4-yl]phenyl]-3-(3,4,5-trifluorophenyl)propanamide
CID 171698738
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
N-[4-[1-[(2R)-2-acetamido-3-(3,4,5-trifluorophenyl)propanoyl]piperidin-4-yl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 171683907
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 25152126
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
N'-(2,6-dimethylphenyl)-N-[4-[1-[2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]phenyl]oxamide
CID 171683936
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-(2-fluorobenzoyl)piperidin-4-yl]phenyl]propanoic acid
CID 68800651
(2R)-2-acetamido-N-(4-acetylphenyl)-3-phenylpropanamide
CID 59916110
1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
CID 4964862

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide (CID 171681568) is 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide is CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(C2CCN(C(=O)c3c(C)cccc3F)CC2)cc1.
What is the InChIKey of 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is YLFMVBLFZMBEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N3O3/c1-19-5-3-8-26(32)28(19)30(38)35-15-13-23(14-16-35)22-9-11-25(12-10-22)34-29(37)27(33-20(2)36)18-21-6-4-7-24(31)17-21/h3-12,17,23,27H,13-16,18H2,1-2H3,(H,33,36)(H,34,37).
What are the key properties of 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide?
2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 519.59 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 171681568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).