2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

C20H32N2O2 — CID 111114173

IUPAC2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CN2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C20H32N2O2/c1-14-11-15(2)19(16(3)12-14)5-8-21-20(24)13-22-9-6-18(7-10-22)17(4)23/h11-12,17-18,23H,5-10,13H2,1-4H3,(H,21,24)
InChIKeyYSBDQMMKVQAIHB-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (PubChem CID 111114173) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
PubChem CID111114173
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CN2CCC(C(C)O)CC2)c(C)c1
InChIInChI=1S/C20H32N2O2/c1-14-11-15(2)19(16(3)12-14)5-8-21-20(24)13-22-9-6-18(7-10-22)17(4)23/h11-12,17-18,23H,5-10,13H2,1-4H3,(H,21,24)
InChIKeyYSBDQMMKVQAIHB-UHFFFAOYSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 86903062
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 87015842
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
1-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836618
2-hydroxy-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115140912
2-(propan-2-ylamino)-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 115158305
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
2-methyl-3-oxo-3-[2-(2,4,6-trimethylphenyl)ethylamino]propanoic acid
CID 115164343
3-sulfanyl-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 115168005

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (CID 111114173) is 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(CCNC(=O)CN2CCC(C(C)O)CC2)c(C)c1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The InChIKey is YSBDQMMKVQAIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14-11-15(2)19(16(3)12-14)5-8-21-20(24)13-22-9-6-18(7-10-22)17(4)23/h11-12,17-18,23H,5-10,13H2,1-4H3,(H,21,24).
What are the key properties of 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 111114173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).