1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide

C21H29N3O5 — CID 84565797

IUPAC1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)N1CCC(C(N)=O)CC1)C1CC1
InChIInChI=1S/C21H29N3O5/c1-28-17-4-2-3-5-18(17)29-14-20(26)24(16-6-7-16)13-10-19(25)23-11-8-15(9-12-23)21(22)27/h2-5,15-16H,6-14H2,1H3,(H2,22,27)
InChIKeyRHLWBGYAVVGMMX-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.18
Rot. Bonds9

About 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide

1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide (PubChem CID 84565797) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
PubChem CID84565797
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Name1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide
SMILESCOc1ccccc1OCC(=O)N(CCC(=O)N1CCC(C(N)=O)CC1)C1CC1
InChIInChI=1S/C21H29N3O5/c1-28-17-4-2-3-5-18(17)29-14-20(26)24(16-6-7-16)13-10-19(25)23-11-8-15(9-12-23)21(22)27/h2-5,15-16H,6-14H2,1H3,(H2,22,27)
InChIKeyRHLWBGYAVVGMMX-UHFFFAOYSA-N
XLogP1.18
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
N-cyclopropyl-2-(2-methoxyphenoxy)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 84561838
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropyl-2-(2-methoxyphenoxy)acetamide
CID 84561869
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 60843698
ethyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl-methylamino]propanoate
CID 84561912
N,N-dibutyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 84561909
1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-hydroxycyclohexyl)propanamide
CID 84565814
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
4-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoic acid
CID 84566625
3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-(4-fluorophenyl)propanamide
CID 84565960
N-benzyl-3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-ethylpropanamide
CID 84561868

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide (CID 84565797) is 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide is COc1ccccc1OCC(=O)N(CCC(=O)N1CCC(C(N)=O)CC1)C1CC1.
What is the InChIKey of 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide?
The InChIKey is RHLWBGYAVVGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-28-17-4-2-3-5-18(17)29-14-20(26)24(16-6-7-16)13-10-19(25)23-11-8-15(9-12-23)21(22)27/h2-5,15-16H,6-14H2,1H3,(H2,22,27).
What are the key properties of 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide?
1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 84565797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).