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

C25H32N2O3 — CID 87015842

IUPAC2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CN2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C25H32N2O3/c1-17-14-18(2)23(19(3)15-17)8-11-26-24(29)16-27-12-9-21(10-13-27)25(30)20-4-6-22(28)7-5-20/h4-7,14-15,21,28H,8-13,16H2,1-3H3,(H,26,29)
InChIKeyWHWWKEHKUZYXLB-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.57
Rot. Bonds7

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

2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (PubChem CID 87015842) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
PubChem CID87015842
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCc1cc(C)c(CCNC(=O)CN2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C25H32N2O3/c1-17-14-18(2)23(19(3)15-17)8-11-26-24(29)16-27-12-9-21(10-13-27)25(30)20-4-6-22(28)7-5-20/h4-7,14-15,21,28H,8-13,16H2,1-3H3,(H,26,29)
InChIKeyWHWWKEHKUZYXLB-UHFFFAOYSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 111114173
2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 86903062
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
4-(4-hydroxybenzoyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 86999128
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904533
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
CID 3367291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (CID 87015842) is 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is Cc1cc(C)c(CCNC(=O)CN2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The InChIKey is WHWWKEHKUZYXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-14-18(2)23(19(3)15-17)8-11-26-24(29)16-27-12-9-21(10-13-27)25(30)20-4-6-22(28)7-5-20/h4-7,14-15,21,28H,8-13,16H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 87015842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).