N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide

C22H26FN3O3 — CID 131890711

IUPACN-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCC1CCN(C(=O)COc2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O3/c23-19-2-1-3-20(14-19)29-16-22(28)26-12-8-18(9-13-26)15-25-21(27)5-4-17-6-10-24-11-7-17/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15-16H2,(H,25,27)
InChIKeyFIFWYAGUMCWARA-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.59
Rot. Bonds8

About N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide

N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide (PubChem CID 131890711) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide
PubChem CID131890711
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCC1CCN(C(=O)COc2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O3/c23-19-2-1-3-20(14-19)29-16-22(28)26-12-8-18(9-13-26)15-25-21(27)5-4-17-6-10-24-11-7-17/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15-16H2,(H,25,27)
InChIKeyFIFWYAGUMCWARA-UHFFFAOYSA-N
XLogP2.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
2-(3-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103555
2-(3-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121345
2-(4-fluorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102862
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108751
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 2382552
2-(3-methylphenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 17013748
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide (CID 131890711) is N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NCC1CCN(C(=O)COc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide?
The InChIKey is FIFWYAGUMCWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-2-1-3-20(14-19)29-16-22(28)26-12-8-18(9-13-26)15-25-21(27)5-4-17-6-10-24-11-7-17/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15-16H2,(H,25,27).
What are the key properties of N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide?
N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide has a molecular weight of 399.47 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 131890711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).