N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide

C25H31ClN2O3 — CID 108556384

IUPACN-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1
InChIInChI=1S/C25H31ClN2O3/c1-17-4-6-20(7-5-17)8-9-23(29)27-21-10-12-28(13-11-21)24(30)16-31-22-14-18(2)25(26)19(3)15-22/h4-7,14-15,21H,8-13,16H2,1-3H3,(H,27,29)
InChIKeyGHCRUJCRIWFNEZ-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.38
Rot. Bonds7

About N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide

N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide (PubChem CID 108556384) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
PubChem CID108556384
Molecular FormulaC25H31ClN2O3
Molecular Weight442.99 g/mol
Exact Mass442.20
IUPAC NameN-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1
InChIInChI=1S/C25H31ClN2O3/c1-17-4-6-20(7-5-17)8-9-23(29)27-21-10-12-28(13-11-21)24(30)16-31-22-14-18(2)25(26)19(3)15-22/h4-7,14-15,21H,8-13,16H2,1-3H3,(H,27,29)
InChIKeyGHCRUJCRIWFNEZ-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
3-(4-chlorophenyl)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108556618
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565024
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108552751
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554700
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide (CID 108556384) is N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is GHCRUJCRIWFNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O3/c1-17-4-6-20(7-5-17)8-9-23(29)27-21-10-12-28(13-11-21)24(30)16-31-22-14-18(2)25(26)19(3)15-22/h4-7,14-15,21H,8-13,16H2,1-3H3,(H,27,29).
What are the key properties of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide?
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 442.99 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 108556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).