4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide

C28H34FN3O3 — CID 170414297

IUPAC4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide
SMILESCC(=O)C1(CC(=O)N(c2ccccc2)C2CCCC2)CCN(C(=O)N(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H34FN3O3/c1-21(33)28(20-26(34)32(25-10-6-7-11-25)24-8-4-3-5-9-24)16-18-31(19-17-28)27(35)30(2)23-14-12-22(29)13-15-23/h3-5,8-9,12-15,25H,6-7,10-11,16-20H2,1-2H3
InChIKeyLIBSHSUAXDVLFS-UHFFFAOYSA-N
MW479.60 g/mol
LogP5.42
Rot. Bonds6

About 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide

4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide (PubChem CID 170414297) has the molecular formula C28H34FN3O3 and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide
PubChem CID170414297
Molecular FormulaC28H34FN3O3
Molecular Weight479.60 g/mol
Exact Mass479.26
IUPAC Name4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide
SMILESCC(=O)C1(CC(=O)N(c2ccccc2)C2CCCC2)CCN(C(=O)N(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H34FN3O3/c1-21(33)28(20-26(34)32(25-10-6-7-11-25)24-8-4-3-5-9-24)16-18-31(19-17-28)27(35)30(2)23-14-12-22(29)13-15-23/h3-5,8-9,12-15,25H,6-7,10-11,16-20H2,1-2H3
InChIKeyLIBSHSUAXDVLFS-UHFFFAOYSA-N
XLogP5.42
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.60
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(N-cyclohexylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-4-(1-hydroxyethenyl)-N-methylpiperidine-1-carboxamide
CID 170414295
4-[2-(N-cyclohexyl-4-fluoroanilino)-2-oxoethyl]-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-4-carboxylic acid
CID 170355523
1-[(4-fluorophenyl)-methylcarbamoyl]-4-[2-(N-[(3S)-oxan-3-yl]anilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 170414129
4-[2-(N-cyclohexylanilino)-2-oxoethyl]-1-[ethyl-(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 170355389
1-[cyclopropyl-(4-fluorophenyl)carbamoyl]-4-[2-(N-(2-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 170355410
2-[4-acetyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]-N-(3,3-difluorocyclohexyl)-N-phenylacetamide
CID 170414329
4-[2-(N-[(1R)-3,3-difluorocyclohexyl]anilino)-2-oxoethyl]-1-[2,2-difluoro-2-(2-fluorophenyl)acetyl]piperidine-4-carboxylic acid
CID 175966846
1-(5-fluoro-2,3-dihydroindole-1-carbonyl)-4-[2-[N-(oxan-4-yl)anilino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 170355545
4-[2-(N-[(1S)-3,3-difluorocyclohexyl]anilino)-2-oxoethyl]-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
CID 170414125
methyl 4-[2-(N-(3,3-difluorocyclohexyl)anilino)-2-oxoethyl]piperidine-4-carboxylate
CID 170342147
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-cyclohexyl-2-(4-formyl-1-phenylpiperidin-4-yl)-N-phenylacetamide
CID 170591666

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide (CID 170414297) is 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide is CC(=O)C1(CC(=O)N(c2ccccc2)C2CCCC2)CCN(C(=O)N(C)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide?
The InChIKey is LIBSHSUAXDVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O3/c1-21(33)28(20-26(34)32(25-10-6-7-11-25)24-8-4-3-5-9-24)16-18-31(19-17-28)27(35)30(2)23-14-12-22(29)13-15-23/h3-5,8-9,12-15,25H,6-7,10-11,16-20H2,1-2H3.
What are the key properties of 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide?
4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4-[2-(N-cyclopentylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 170414297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).