5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide

C16H33N3O2 — CID 106588668

IUPAC5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCN1CCCC(COC)C1)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-4-9-18-16(2,15(17)20)8-6-11-19-10-5-7-14(12-19)13-21-3/h14,18H,4-13H2,1-3H3,(H2,17,20)
InChIKeyMTOZFMGLMDMFRC-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.37
Rot. Bonds10

About 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide

5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide (PubChem CID 106588668) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
PubChem CID106588668
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCN1CCCC(COC)C1)C(N)=O
InChIInChI=1S/C16H33N3O2/c1-4-9-18-16(2,15(17)20)8-6-11-19-10-5-7-14(12-19)13-21-3/h14,18H,4-13H2,1-3H3,(H2,17,20)
InChIKeyMTOZFMGLMDMFRC-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
2-(ethylamino)-6-[3-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 106588684
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)hexanenitrile
CID 64599701

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide?
The IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide (CID 106588668) is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide?
The canonical SMILES for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide is CCCNC(C)(CCCN1CCCC(COC)C1)C(N)=O.
What is the InChIKey of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide?
The InChIKey is MTOZFMGLMDMFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-4-9-18-16(2,15(17)20)8-6-11-19-10-5-7-14(12-19)13-21-3/h14,18H,4-13H2,1-3H3,(H2,17,20).
What are the key properties of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide?
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide has a molecular weight of 299.46 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide is sourced from PubChem (CID 106588668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).