1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one

C22H28FN3O3 — CID 176923014

IUPAC1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N(c2ccc(O[C@H](C)F)cc2)c2cnccc2OC)CC1
InChIInChI=1S/C22H28FN3O3/c1-4-22(27)25-13-10-18(11-14-25)26(20-15-24-12-9-21(20)28-3)17-5-7-19(8-6-17)29-16(2)23/h5-9,12,15-16,18H,4,10-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyLPFFHRRCENUUFA-MRXNPFEDSA-N
MW401.48 g/mol
LogP4.32
Rot. Bonds7

About 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one

1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one (PubChem CID 176923014) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one
PubChem CID176923014
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N(c2ccc(O[C@H](C)F)cc2)c2cnccc2OC)CC1
InChIInChI=1S/C22H28FN3O3/c1-4-22(27)25-13-10-18(11-14-25)26(20-15-24-12-9-21(20)28-3)17-5-7-19(8-6-17)29-16(2)23/h5-9,12,15-16,18H,4,10-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyLPFFHRRCENUUFA-MRXNPFEDSA-N
XLogP4.32
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
N-(6-fluoro-4-phenoxypyridin-3-yl)-N-(2-methoxybenzyl)acetamide
CID 56671767
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
N-((2-(2-(Fluoro-18F)ethoxy)phenyl)methyl)-N-(4-phenoxy-3-pyridinyl)acetamide
CID 24875298
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-[3-(4-Acetamidophenoxy)propyl]pyridin-1-ium chloride
CID 16188723
(R)-1-[3-(1-Acetyl-piperidin-3-yloxy)-5-fluoro-phenyl]-3-pyridin-3-yl-urea
CID 11696413
(2R)-N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24877085
N-(4-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878344
N-[[2-(2-fluoroethoxy)-3-pyridinyl]methyl]-N-(2-phenoxyphenyl)acetamide
CID 58029252
N-[[2-(2-Fluoroethoxy)phenyl]methyl]-N-(2-phenoxy-3-pyridinyl)acetamide
CID 58029262

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one (CID 176923014) is 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(N(c2ccc(O[C@H](C)F)cc2)c2cnccc2OC)CC1.
What is the InChIKey of 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one?
The InChIKey is LPFFHRRCENUUFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-4-22(27)25-13-10-18(11-14-25)26(20-15-24-12-9-21(20)28-3)17-5-7-19(8-6-17)29-16(2)23/h5-9,12,15-16,18H,4,10-11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one?
1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one has a molecular weight of 401.48 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(1S)-1-fluoroethoxy]-N-(4-methoxy-3-pyridinyl)anilino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176923014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).