N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide

C20H23ClN2O2 — CID 166605994

IUPACN-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c21-18-8-6-17(7-9-18)20(25)10-12-23(13-11-20)15-19(24)22-14-16-4-2-1-3-5-16/h1-9,25H,10-15H2,(H,22,24)
InChIKeyFOFKOZNNKVAMHO-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.94
Rot. Bonds5

About N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide

N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide (PubChem CID 166605994) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
PubChem CID166605994
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
SMILESO=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C20H23ClN2O2/c21-18-8-6-17(7-9-18)20(25)10-12-23(13-11-20)15-19(24)22-14-16-4-2-1-3-5-16/h1-9,25H,10-15H2,(H,22,24)
InChIKeyFOFKOZNNKVAMHO-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
2-[4-(4-benzylphenyl)-4-hydroxypiperidin-1-yl]-N-(1-methylcyclopropyl)acetamide
CID 23383909
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 22458822
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 1446584
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-benzyl-2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 167974239
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
4-(4-chlorophenyl)-4-hydroxy-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 144925800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide (CID 166605994) is N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide is O=C(CN1CCC(O)(c2ccc(Cl)cc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide?
The InChIKey is FOFKOZNNKVAMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c21-18-8-6-17(7-9-18)20(25)10-12-23(13-11-20)15-19(24)22-14-16-4-2-1-3-5-16/h1-9,25H,10-15H2,(H,22,24).
What are the key properties of N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide?
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide has a molecular weight of 358.87 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 166605994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).