2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

C23H37N3O4 — CID 18281050

IUPAC2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCOc1cc(CCC2CCN(C(C)C(=O)NC(=O)NCC(C)C)CC2)cc(OC)c1
InChIInChI=1S/C23H37N3O4/c1-16(2)15-24-23(28)25-22(27)17(3)26-10-8-18(9-11-26)6-7-19-12-20(29-4)14-21(13-19)30-5/h12-14,16-18H,6-11,15H2,1-5H3,(H2,24,25,27,28)
InChIKeyXNCNCFYECQCAOM-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.22
Rot. Bonds9

About 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 18281050) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID18281050
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC Name2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCOc1cc(CCC2CCN(C(C)C(=O)NC(=O)NCC(C)C)CC2)cc(OC)c1
InChIInChI=1S/C23H37N3O4/c1-16(2)15-24-23(28)25-22(27)17(3)26-10-8-18(9-11-26)6-7-19-12-20(29-4)14-21(13-19)30-5/h12-14,16-18H,6-11,15H2,1-5H3,(H2,24,25,27,28)
InChIKeyXNCNCFYECQCAOM-UHFFFAOYSA-N
XLogP3.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
CID 18137185
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42927404
2-amino-1-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 120984497
N-cyclopropyl-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 78831418
4-[2-(3,5-dimethoxyphenyl)ethyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]piperidine-1-carboxamide
CID 42085583
(2S)-2-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 100880785
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16597671
N-[4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24603108
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 18137192

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (CID 18281050) is 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is COc1cc(CCC2CCN(C(C)C(=O)NC(=O)NCC(C)C)CC2)cc(OC)c1.
What is the InChIKey of 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is XNCNCFYECQCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4/c1-16(2)15-24-23(28)25-22(27)17(3)26-10-8-18(9-11-26)6-7-19-12-20(29-4)14-21(13-19)30-5/h12-14,16-18H,6-11,15H2,1-5H3,(H2,24,25,27,28).
What are the key properties of 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 419.57 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 18281050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).