2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide

C29H38FN3O2 — CID 16667140

IUPAC2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
SMILESCCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)CC3CCCCC3)cc2F)CC1
InChIInChI=1S/C29H38FN3O2/c1-2-31-29(35)28(22-11-7-4-8-12-22)23-15-17-33(18-16-23)26-14-13-24(20-25(26)30)32-27(34)19-21-9-5-3-6-10-21/h4,7-8,11-14,20-21,23,28H,2-3,5-6,9-10,15-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyOGMBOYQZZCOSLF-UHFFFAOYSA-N
MW479.64 g/mol
LogP5.87
Rot. Bonds8

About 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide

2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide (PubChem CID 16667140) has the molecular formula C29H38FN3O2 and a molecular weight of 479.64 g/mol. Its IUPAC name is 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
PubChem CID16667140
Molecular FormulaC29H38FN3O2
Molecular Weight479.64 g/mol
Exact Mass479.29
IUPAC Name2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
SMILESCCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)CC3CCCCC3)cc2F)CC1
InChIInChI=1S/C29H38FN3O2/c1-2-31-29(35)28(22-11-7-4-8-12-22)23-15-17-33(18-16-23)26-14-13-24(20-25(26)30)32-27(34)19-21-9-5-3-6-10-21/h4,7-8,11-14,20-21,23,28H,2-3,5-6,9-10,15-19H2,1H3,(H,31,35)(H,32,34)
InChIKeyOGMBOYQZZCOSLF-UHFFFAOYSA-N
XLogP5.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide with MolForge

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Related Compounds

N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide
CID 16667137
2-[1-[4-[[(3E)-4-aminooxy-2-methylpenta-1,3-dien-3-yl]carbamoylamino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
CID 89362254
N-[3-cyano-4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-ethylbutanamide
CID 16667330
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
CID 58870638
N-[4-[4-[(1R)-2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25152075
[[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluoroanilino]-hydroxymethylidene]-(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)azanium
CID 143452929
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110149843
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
CID 121325202

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
The IUPAC name of 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide (CID 16667140) is 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide.
What is the SMILES notation for 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
The canonical SMILES for 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide is CCNC(=O)C(c1ccccc1)C1CCN(c2ccc(NC(=O)CC3CCCCC3)cc2F)CC1.
What is the InChIKey of 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
The InChIKey is OGMBOYQZZCOSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN3O2/c1-2-31-29(35)28(22-11-7-4-8-12-22)23-15-17-33(18-16-23)26-14-13-24(20-25(26)30)32-27(34)19-21-9-5-3-6-10-21/h4,7-8,11-14,20-21,23,28H,2-3,5-6,9-10,15-19H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide?
2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide has a molecular weight of 479.64 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 16667140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).