4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide

C24H31N3O3 — CID 108557918

IUPAC4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O3/c1-17-5-10-22(18(2)15-17)30-16-23(28)27-13-11-20(12-14-27)25-24(29)19-6-8-21(9-7-19)26(3)4/h5-10,15,20H,11-14,16H2,1-4H3,(H,25,29)
InChIKeyMMJJORIMJWMOAA-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.17
Rot. Bonds6

About 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide

4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108557918) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108557918
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)c(C)c1
InChIInChI=1S/C24H31N3O3/c1-17-5-10-22(18(2)15-17)30-16-23(28)27-13-11-20(12-14-27)25-24(29)19-6-8-21(9-7-19)26(3)4/h5-10,15,20H,11-14,16H2,1-4H3,(H,25,29)
InChIKeyMMJJORIMJWMOAA-UHFFFAOYSA-N
XLogP3.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549411
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
ethyl 4-[4-[[4-(dimethylamino)benzoyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108562813
2-(2,4-dimethylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60956652

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108557918) is 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)c(C)c1.
What is the InChIKey of 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is MMJJORIMJWMOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-5-10-22(18(2)15-17)30-16-23(28)27-13-11-20(12-14-27)25-24(29)19-6-8-21(9-7-19)26(3)4/h5-10,15,20H,11-14,16H2,1-4H3,(H,25,29).
What are the key properties of 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108557918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).