4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide

C14H29N3O2 — CID 106588626

IUPAC4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
SMILESCCCNC(CCN1CCCC(COC)C1)C(N)=O
InChIInChI=1S/C14H29N3O2/c1-3-7-16-13(14(15)18)6-9-17-8-4-5-12(10-17)11-19-2/h12-13,16H,3-11H2,1-2H3,(H2,15,18)
InChIKeyGGUWVSKERMTCDF-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.59
Rot. Bonds9

About 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide

4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide (PubChem CID 106588626) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
PubChem CID106588626
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
SMILESCCCNC(CCN1CCCC(COC)C1)C(N)=O
InChIInChI=1S/C14H29N3O2/c1-3-7-16-13(14(15)18)6-9-17-8-4-5-12(10-17)11-19-2/h12-13,16H,3-11H2,1-2H3,(H2,15,18)
InChIKeyGGUWVSKERMTCDF-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
CID 81199567
4-(2,3-dimethylpiperidin-1-yl)-2-(propylamino)butanamide
CID 63053485
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
methyl 2-(ethylamino)-4-(3-ethylpiperidin-1-yl)butanoate
CID 63054032
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
CID 106588520
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide?
The IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide (CID 106588626) is 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide?
The canonical SMILES for 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide is CCCNC(CCN1CCCC(COC)C1)C(N)=O.
What is the InChIKey of 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide?
The InChIKey is GGUWVSKERMTCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-7-16-13(14(15)18)6-9-17-8-4-5-12(10-17)11-19-2/h12-13,16H,3-11H2,1-2H3,(H2,15,18).
What are the key properties of 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide?
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide has a molecular weight of 271.40 g/mol, XLogP of 0.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide is sourced from PubChem (CID 106588626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).