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

C23H27ClN2O3 — CID 108555353

IUPACN-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c1
InChIInChI=1S/C23H27ClN2O3/c1-15-5-4-6-18(11-15)23(28)25-19-7-9-26(10-8-19)21(27)14-29-20-12-16(2)22(24)17(3)13-20/h4-6,11-13,19H,7-10,14H2,1-3H3,(H,25,28)
InChIKeyRVTBIJGQKSMYSR-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.07
Rot. Bonds5

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

N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide (PubChem CID 108555353) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
PubChem CID108555353
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c1
InChIInChI=1S/C23H27ClN2O3/c1-15-5-4-6-18(11-15)23(28)25-19-7-9-26(10-8-19)21(27)14-29-20-12-16(2)22(24)17(3)13-20/h4-6,11-13,19H,7-10,14H2,1-3H3,(H,25,28)
InChIKeyRVTBIJGQKSMYSR-UHFFFAOYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-2-sulfanylbenzamide
CID 108554700
2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565024
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556384
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558293
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 3559203

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide (CID 108555353) is N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)c1.
What is the InChIKey of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
The InChIKey is RVTBIJGQKSMYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-15-5-4-6-18(11-15)23(28)25-19-7-9-26(10-8-19)21(27)14-29-20-12-16(2)22(24)17(3)13-20/h4-6,11-13,19H,7-10,14H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide has a molecular weight of 414.93 g/mol, XLogP of 4.07, 5 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-methylbenzamide is sourced from PubChem (CID 108555353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).