3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide

C23H36FN3O2 — CID 75373599

IUPAC3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
SMILESCCC(CC)C(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C23H36FN3O2/c1-3-19(4-2)22(27-13-15-29-16-14-27)23(28)25-21-9-11-26(12-10-21)17-18-5-7-20(24)8-6-18/h5-8,19,21-22H,3-4,9-17H2,1-2H3,(H,25,28)
InChIKeySSXJAMVETBKKKN-UHFFFAOYSA-N
MW405.56 g/mol
LogP3.04
Rot. Bonds8

About 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide

3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide (PubChem CID 75373599) has the molecular formula C23H36FN3O2 and a molecular weight of 405.56 g/mol. Its IUPAC name is 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide.

Molecular Properties

Compound Name3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
PubChem CID75373599
Molecular FormulaC23H36FN3O2
Molecular Weight405.56 g/mol
Exact Mass405.28
IUPAC Name3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide
SMILESCCC(CC)C(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C23H36FN3O2/c1-3-19(4-2)22(27-13-15-29-16-14-27)23(28)25-21-9-11-26(12-10-21)17-18-5-7-20(24)8-6-18/h5-8,19,21-22H,3-4,9-17H2,1-2H3,(H,25,28)
InChIKeySSXJAMVETBKKKN-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493944
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 60543938
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55961209
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
2-[[(butan-2-ylamino)-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110039276
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide?
The IUPAC name of 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide (CID 75373599) is 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide.
What is the SMILES notation for 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide?
The canonical SMILES for 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide is CCC(CC)C(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide?
The InChIKey is SSXJAMVETBKKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36FN3O2/c1-3-19(4-2)22(27-13-15-29-16-14-27)23(28)25-21-9-11-26(12-10-21)17-18-5-7-20(24)8-6-18/h5-8,19,21-22H,3-4,9-17H2,1-2H3,(H,25,28).
What are the key properties of 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide?
3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide has a molecular weight of 405.56 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpentanamide is sourced from PubChem (CID 75373599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).