N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

C24H31N3O4 — CID 55853187

IUPACN-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCOc1cc(NC(=O)CN2CCC(NC(=O)CCc3ccccc3)CC2)cc(OC)c1
InChIInChI=1S/C24H31N3O4/c1-30-21-14-20(15-22(16-21)31-2)26-24(29)17-27-12-10-19(11-13-27)25-23(28)9-8-18-6-4-3-5-7-18/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBPDKPHXLYCAVSC-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.86
Rot. Bonds9

About N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55853187) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55853187
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCOc1cc(NC(=O)CN2CCC(NC(=O)CCc3ccccc3)CC2)cc(OC)c1
InChIInChI=1S/C24H31N3O4/c1-30-21-14-20(15-22(16-21)31-2)26-24(29)17-27-12-10-19(11-13-27)25-23(28)9-8-18-6-4-3-5-7-18/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyBPDKPHXLYCAVSC-UHFFFAOYSA-N
XLogP2.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738569
N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132
N-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738071
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55853187) is N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is COc1cc(NC(=O)CN2CCC(NC(=O)CCc3ccccc3)CC2)cc(OC)c1.
What is the InChIKey of N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is BPDKPHXLYCAVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-21-14-20(15-22(16-21)31-2)26-24(29)17-27-12-10-19(11-13-27)25-23(28)9-8-18-6-4-3-5-7-18/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 425.53 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55853187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).