N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide

C24H32N2O2 — CID 68870361

IUPACN-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C
InChIInChI=1S/C24H32N2O2/c1-18(2)24(28,22-12-8-7-9-19(22)3)23(27)25-21-13-15-26(16-14-21)17-20-10-5-4-6-11-20/h4-12,18,21,28H,13-17H2,1-3H3,(H,25,27)
InChIKeyYMUOBZSGFQJTBT-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.62
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide

N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide (PubChem CID 68870361) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide
PubChem CID68870361
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C
InChIInChI=1S/C24H32N2O2/c1-18(2)24(28,22-12-8-7-9-19(22)3)23(27)25-21-13-15-26(16-14-21)17-20-10-5-4-6-11-20/h4-12,18,21,28H,13-17H2,1-3H3,(H,25,27)
InChIKeyYMUOBZSGFQJTBT-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-[3-(trifluoromethyl)phenyl]butanamide
CID 68869568
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide (CID 68870361) is N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide is Cc1ccccc1C(O)(C(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide?
The InChIKey is YMUOBZSGFQJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)24(28,22-12-8-7-9-19(22)3)23(27)25-21-13-15-26(16-14-21)17-20-10-5-4-6-11-20/h4-12,18,21,28H,13-17H2,1-3H3,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide?
N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide has a molecular weight of 380.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-hydroxy-3-methyl-2-(2-methylphenyl)butanamide is sourced from PubChem (CID 68870361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).