N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide

C25H32N2O4 — CID 108558293

IUPACN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C25H32N2O4/c1-17-8-9-22(21(14-17)25(2,3)4)31-16-23(29)27-12-10-19(11-13-27)26-24(30)18-6-5-7-20(28)15-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,26,30)
InChIKeyATWBBTMUTPWFMA-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.80
Rot. Bonds5

About N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide (PubChem CID 108558293) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
PubChem CID108558293
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)c(C(C)(C)C)c1
InChIInChI=1S/C25H32N2O4/c1-17-8-9-22(21(14-17)25(2,3)4)31-16-23(29)27-12-10-19(11-13-27)26-24(30)18-6-5-7-20(28)15-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,26,30)
InChIKeyATWBBTMUTPWFMA-UHFFFAOYSA-N
XLogP3.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550337
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549411
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3,3-dimethylbutanamide
CID 108564984
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 108564979
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353
2-(2-tert-butyl-4-methylphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108546454
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 108552716
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836638
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
2-(2,4-ditert-butylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119560992

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide?
The IUPAC name of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide (CID 108558293) is N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)c3cccc(O)c3)CC2)c(C(C)(C)C)c1.
What is the InChIKey of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide?
The InChIKey is ATWBBTMUTPWFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-17-8-9-22(21(14-17)25(2,3)4)31-16-23(29)27-12-10-19(11-13-27)26-24(30)18-6-5-7-20(28)15-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,26,30).
What are the key properties of N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide?
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide has a molecular weight of 424.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide is sourced from PubChem (CID 108558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).