2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide

C25H31ClN2O3 — CID 108552692

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C25H31ClN2O3/c1-17-9-10-22(20(15-17)25(2,3)4)31-16-23(29)27-18-11-13-28(14-12-18)24(30)19-7-5-6-8-21(19)26/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,29)
InChIKeyOWRFGHWLSCLRJD-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide (PubChem CID 108552692) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
PubChem CID108552692
Molecular FormulaC25H31ClN2O3
Molecular Weight442.99 g/mol
Exact Mass442.20
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C25H31ClN2O3/c1-17-9-10-22(20(15-17)25(2,3)4)31-16-23(29)27-18-11-13-28(14-12-18)24(30)19-7-5-6-8-21(19)26/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,29)
InChIKeyOWRFGHWLSCLRJD-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-4-methylphenoxy)-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 108552688
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 108552716
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108564979
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108535649
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553730

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide (CID 108552692) is 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide?
The InChIKey is OWRFGHWLSCLRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O3/c1-17-9-10-22(20(15-17)25(2,3)4)31-16-23(29)27-18-11-13-28(14-12-18)24(30)19-7-5-6-8-21(19)26/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,29).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide has a molecular weight of 442.99 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-[1-(2-chlorobenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).