N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride

C22H27ClFN3O2 — CID 174442365

IUPACN-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(CN2Cc3ccccc3C2O)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2.ClH/c23-18-5-7-19(8-6-18)24-21(27)15-25-11-9-16(10-12-25)13-26-14-17-3-1-2-4-20(17)22(26)28;/h1-8,16,22,28H,9-15H2,(H,24,27);1H
InChIKeySDBFUQZYPVTZBI-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.40
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride

N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride (PubChem CID 174442365) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride
PubChem CID174442365
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC NameN-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(CN2Cc3ccccc3C2O)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2.ClH/c23-18-5-7-19(8-6-18)24-21(27)15-25-11-9-16(10-12-25)13-26-14-17-3-1-2-4-20(17)22(26)28;/h1-8,16,22,28H,9-15H2,(H,24,27);1H
InChIKeySDBFUQZYPVTZBI-UHFFFAOYSA-N
XLogP3.40
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride
CID 174442389
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174442393
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindol-1-ol;hydrochloride
CID 174444404
N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
CID 69100448
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride (CID 174442365) is N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCC(CN2Cc3ccccc3C2O)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is SDBFUQZYPVTZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2.ClH/c23-18-5-7-19(8-6-18)24-21(27)15-25-11-9-16(10-12-25)13-26-14-17-3-1-2-4-20(17)22(26)28;/h1-8,16,22,28H,9-15H2,(H,24,27);1H.
What are the key properties of N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride?
N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 174442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).