N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide

C29H40FN3O2 — CID 16667137

IUPACN-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(N2CCC(C(C(=O)NCC)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C29H40FN3O2/c1-4-10-23(11-5-2)28(34)32-24-14-15-26(25(30)20-24)33-18-16-22(17-19-33)27(29(35)31-6-3)21-12-8-7-9-13-21/h7-9,12-15,20,22-23,27H,4-6,10-11,16-19H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyGDASUGFIYLAYQP-UHFFFAOYSA-N
MW481.66 g/mol
LogP6.12
Rot. Bonds11

About N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide

N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide (PubChem CID 16667137) has the molecular formula C29H40FN3O2 and a molecular weight of 481.66 g/mol. Its IUPAC name is N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide
PubChem CID16667137
Molecular FormulaC29H40FN3O2
Molecular Weight481.66 g/mol
Exact Mass481.31
IUPAC NameN-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(N2CCC(C(C(=O)NCC)c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C29H40FN3O2/c1-4-10-23(11-5-2)28(34)32-24-14-15-26(25(30)20-24)33-18-16-22(17-19-33)27(29(35)31-6-3)21-12-8-7-9-13-21/h7-9,12-15,20,22-23,27H,4-6,10-11,16-19H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyGDASUGFIYLAYQP-UHFFFAOYSA-N
XLogP6.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.66
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-[(2-cyclohexylacetyl)amino]-2-fluorophenyl]piperidin-4-yl]-N-ethyl-2-phenylacetamide
CID 16667140
N-[3-cyano-4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-ethylbutanamide
CID 16667330
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
methyl 2-[4-[4-(2-ethylhexanoylamino)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetate
CID 58870710
N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]oxolane-3-carboxamide
CID 58870638
N-[4-(4-benzhydrylpiperidin-1-yl)-3-cyanophenyl]-2-ethylbutanamide
CID 25255232
methyl 4-[4-(2-ethylbutanoylamino)-2-fluorophenyl]-1-(2-methoxy-2-oxo-1-phenylethyl)piperazine-2-carboxylate
CID 58870663
methyl (4S)-2-[[4-[4-(2-ethylbutanoylamino)-2-fluorophenyl]piperazin-1-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 67678882
N-[4-[4-[(1R)-2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25152075
2-ethyl-N-[3-fluoro-4-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]piperazin-1-yl]phenyl]butanamide
CID 67678645
[[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
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)butanamide
CID 79024792

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide?
The IUPAC name of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide (CID 16667137) is N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide.
What is the SMILES notation for N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide?
The canonical SMILES for N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccc(N2CCC(C(C(=O)NCC)c3ccccc3)CC2)c(F)c1.
What is the InChIKey of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide?
The InChIKey is GDASUGFIYLAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FN3O2/c1-4-10-23(11-5-2)28(34)32-24-14-15-26(25(30)20-24)33-18-16-22(17-19-33)27(29(35)31-6-3)21-12-8-7-9-13-21/h7-9,12-15,20,22-23,27H,4-6,10-11,16-19H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide?
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide has a molecular weight of 481.66 g/mol, XLogP of 6.12, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]-3-fluorophenyl]-2-propylpentanamide is sourced from PubChem (CID 16667137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).