2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide

C24H32N2O3 — CID 91162499

IUPAC2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)C2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-18(2)29-22-11-9-21(10-12-22)25-23(27)19(3)24(28)13-15-26(16-14-24)17-20-7-5-4-6-8-20/h4-12,18-19,28H,13-17H2,1-3H3,(H,25,27)
InChIKeyJYBAOJSVXXDGHO-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.08
Rot. Bonds7

About 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide

2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 91162499) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID91162499
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)C2(O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N2O3/c1-18(2)29-22-11-9-21(10-12-22)25-23(27)19(3)24(28)13-15-26(16-14-24)17-20-7-5-4-6-8-20/h4-12,18-19,28H,13-17H2,1-3H3,(H,25,27)
InChIKeyJYBAOJSVXXDGHO-UHFFFAOYSA-N
XLogP4.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-phenoxypropanamide
CID 51942158
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxylic acid
CID 118040700
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113107411
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
2-hydroxy-2-phenyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 110896061
[(1S,5S)-3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-(4-propan-2-yloxyphenyl)methanone
CID 98193938

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide (CID 91162499) is 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)C(C)C2(O)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is JYBAOJSVXXDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(2)29-22-11-9-21(10-12-22)25-23(27)19(3)24(28)13-15-26(16-14-24)17-20-7-5-4-6-8-20/h4-12,18-19,28H,13-17H2,1-3H3,(H,25,27).
What are the key properties of 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 91162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).