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

C23H29ClFN3O2 — CID 174442389

IUPACN-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride
SMILESCl.O=C(CCN1CCC(CN2Cc3ccccc3C2O)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H28FN3O2.ClH/c24-19-5-7-20(8-6-19)25-22(28)11-14-26-12-9-17(10-13-26)15-27-16-18-3-1-2-4-21(18)23(27)29;/h1-8,17,23,29H,9-16H2,(H,25,28);1H
InChIKeyNKKGVZLFYOQKJS-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.79
Rot. Bonds6

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

N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride (PubChem CID 174442389) has the molecular formula C23H29ClFN3O2 and a molecular weight of 433.96 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride
PubChem CID174442389
Molecular FormulaC23H29ClFN3O2
Molecular Weight433.96 g/mol
Exact Mass433.19
IUPAC NameN-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride
SMILESCl.O=C(CCN1CCC(CN2Cc3ccccc3C2O)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C23H28FN3O2.ClH/c24-19-5-7-20(8-6-19)25-22(28)11-14-26-12-9-17(10-13-26)15-27-16-18-3-1-2-4-21(18)23(27)29;/h1-8,17,23,29H,9-16H2,(H,25,28);1H
InChIKeyNKKGVZLFYOQKJS-UHFFFAOYSA-N
XLogP3.79
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]acetamide;hydrochloride
CID 174442365
2-[[1-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]piperidin-4-yl]methyl]-1,3-dihydroisoindol-1-ol;hydrochloride
CID 174444404
2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174456400
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174442393
N-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019679
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(4-cyanophenyl)-3-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246129
3-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 47060175
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride (CID 174442389) is N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride is Cl.O=C(CCN1CCC(CN2Cc3ccccc3C2O)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride?
The InChIKey is NKKGVZLFYOQKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2.ClH/c24-19-5-7-20(8-6-19)25-22(28)11-14-26-12-9-17(10-13-26)15-27-16-18-3-1-2-4-21(18)23(27)29;/h1-8,17,23,29H,9-16H2,(H,25,28);1H.
What are the key properties of N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride?
N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride has a molecular weight of 433.96 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-[(1-hydroxy-1,3-dihydroisoindol-2-yl)methyl]piperidin-1-yl]propanamide;hydrochloride is sourced from PubChem (CID 174442389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).