N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide

C30H42FN3O2 — CID 11691757

IUPACN-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide
SMILESCCCCC(=O)N(CC1CCN(Cc2ccc(CC)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C30H42FN3O2/c1-3-5-6-30(35)34(27-11-12-29(28(31)21-27)33-17-19-36-20-18-33)23-26-13-15-32(16-14-26)22-25-9-7-24(4-2)8-10-25/h7-12,21,26H,3-6,13-20,22-23H2,1-2H3
InChIKeyBSMWZOHHBDDQJB-UHFFFAOYSA-N
MW495.68 g/mol
LogP5.66
Rot. Bonds10

About N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide

N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide (PubChem CID 11691757) has the molecular formula C30H42FN3O2 and a molecular weight of 495.68 g/mol. Its IUPAC name is N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide.

Molecular Properties

Compound NameN-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide
PubChem CID11691757
Molecular FormulaC30H42FN3O2
Molecular Weight495.68 g/mol
Exact Mass495.33
IUPAC NameN-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide
SMILESCCCCC(=O)N(CC1CCN(Cc2ccc(CC)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C30H42FN3O2/c1-3-5-6-30(35)34(27-11-12-29(28(31)21-27)33-17-19-36-20-18-33)23-26-13-15-32(16-14-26)22-25-9-7-24(4-2)8-10-25/h7-12,21,26H,3-6,13-20,22-23H2,1-2H3
InChIKeyBSMWZOHHBDDQJB-UHFFFAOYSA-N
XLogP5.66
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.68
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide?
The IUPAC name of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide (CID 11691757) is N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide.
What is the SMILES notation for N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide?
The canonical SMILES for N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide is CCCCC(=O)N(CC1CCN(Cc2ccc(CC)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide?
The InChIKey is BSMWZOHHBDDQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN3O2/c1-3-5-6-30(35)34(27-11-12-29(28(31)21-27)33-17-19-36-20-18-33)23-26-13-15-32(16-14-26)22-25-9-7-24(4-2)8-10-25/h7-12,21,26H,3-6,13-20,22-23H2,1-2H3.
What are the key properties of N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide?
N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide has a molecular weight of 495.68 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)pentanamide is sourced from PubChem (CID 11691757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).