N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide

C25H28N2O2 — CID 110221422

IUPACN-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H28N2O2/c1-19(28)26-25(23-9-3-2-4-10-23)13-15-27(16-14-25)18-24(29)22-12-11-20-7-5-6-8-21(20)17-22/h2-12,17,24,29H,13-16,18H2,1H3,(H,26,28)
InChIKeyDCBVODRYLVDAPD-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.00
Rot. Bonds5

About N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide

N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide (PubChem CID 110221422) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide
PubChem CID110221422
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2ccccc2)CCN(CC(O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H28N2O2/c1-19(28)26-25(23-9-3-2-4-10-23)13-15-27(16-14-25)18-24(29)22-12-11-20-7-5-6-8-21(20)17-22/h2-12,17,24,29H,13-16,18H2,1H3,(H,26,28)
InChIKeyDCBVODRYLVDAPD-UHFFFAOYSA-N
XLogP4.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110221442
N-[1-[2-hydroxy-2-(1-propanoyl-2,3-dihydroindol-5-yl)ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 110220887
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
N-[4-(4-fluorophenyl)-1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]acetamide
CID 110221450
N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
CID 20752804
1-naphthalen-2-yl-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
CID 24784909
(2S)-2-[3-(4-acetamido-4-phenylpiperidin-1-yl)propylamino]-N-benzyl-N-methyl-3-naphthalen-2-ylpropanamide;hydrochloride
CID 139707565
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide
CID 51501332
(4R)-1'-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502138
N-[2-[2-(4-acetamido-4-phenylpiperidin-1-yl)ethyl-methylamino]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-phenylacetamide;dihydrochloride
CID 19692454
N-[1-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-phenylpiperidin-4-yl]acetamide
CID 46981118

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide (CID 110221422) is N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide is CC(=O)NC1(c2ccccc2)CCN(CC(O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide?
The InChIKey is DCBVODRYLVDAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19(28)26-25(23-9-3-2-4-10-23)13-15-27(16-14-25)18-24(29)22-12-11-20-7-5-6-8-21(20)17-22/h2-12,17,24,29H,13-16,18H2,1H3,(H,26,28).
What are the key properties of N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide?
N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-naphthalen-2-ylethyl)-4-phenylpiperidin-4-yl]acetamide is sourced from PubChem (CID 110221422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).