4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid

C16H32N2O3 — CID 64703620

IUPAC4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N1CCC(COC)CC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-5-8-17-16(3,15(19)20)11-13(2)18-9-6-14(7-10-18)12-21-4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyKSUWQAHCAPCPRE-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.97
Rot. Bonds9

About 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid

4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64703620) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64703620
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N1CCC(COC)CC1)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-5-8-17-16(3,15(19)20)11-13(2)18-9-6-14(7-10-18)12-21-4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyKSUWQAHCAPCPRE-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanoic acid
CID 64710652
methyl 4-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 103538071
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 64726316
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 82752804
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801848
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711857
3-[4-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 63980494
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
2-(ethylamino)-2-methyl-4-(4-propylpiperidin-1-yl)pentanamide
CID 64703137

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid (CID 64703620) is 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N1CCC(COC)CC1)C(=O)O.
What is the InChIKey of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is KSUWQAHCAPCPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-8-17-16(3,15(19)20)11-13(2)18-9-6-14(7-10-18)12-21-4/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid?
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 300.44 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64703620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).