3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide

C23H27ClFN3O2 — CID 86965270

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCN(c2cc(C)ccc2F)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClFN3O2/c1-15-5-10-20(25)22(12-15)28-11-3-4-19(14-28)27-23(30)13-21(26-16(2)29)17-6-8-18(24)9-7-17/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYKMFXZPMICEIBR-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.14
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide (PubChem CID 86965270) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
PubChem CID86965270
Molecular FormulaC23H27ClFN3O2
Molecular Weight431.94 g/mol
Exact Mass431.18
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
SMILESCC(=O)NC(CC(=O)NC1CCCN(c2cc(C)ccc2F)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClFN3O2/c1-15-5-10-20(25)22(12-15)28-11-3-4-19(14-28)27-23(30)13-21(26-16(2)29)17-6-8-18(24)9-7-17/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYKMFXZPMICEIBR-UHFFFAOYSA-N
XLogP4.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
3-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97069908
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 86966242

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide (CID 86965270) is 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide is CC(=O)NC(CC(=O)NC1CCCN(c2cc(C)ccc2F)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
The InChIKey is YKMFXZPMICEIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c1-15-5-10-20(25)22(12-15)28-11-3-4-19(14-28)27-23(30)13-21(26-16(2)29)17-6-8-18(24)9-7-17/h5-10,12,19,21H,3-4,11,13-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide has a molecular weight of 431.94 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 86965270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).