1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid

C15H28N2O3 — CID 79651259

IUPAC1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCOC1CCCN(C2CCC(NC)(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O3/c1-3-9-20-13-5-4-8-17(11-13)12-6-7-15(10-12,16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyGLAUULOWBKUSFP-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds6

About 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid

1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79651259) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79651259
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCCCOC1CCCN(C2CCC(NC)(C(=O)O)C2)C1
InChIInChI=1S/C15H28N2O3/c1-3-9-20-13-5-4-8-17(11-13)12-6-7-15(10-12,16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyGLAUULOWBKUSFP-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651776
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
1-(cyclopropylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639825
ethyl 3-(3-methoxypiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 102966602
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
1-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]cyclopentane-1-carboxylic acid
CID 106588655
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
2-(3-propoxypiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 63075439
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid (CID 79651259) is 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid is CCCOC1CCCN(C2CCC(NC)(C(=O)O)C2)C1.
What is the InChIKey of 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is GLAUULOWBKUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-9-20-13-5-4-8-17(11-13)12-6-7-15(10-12,16-2)14(18)19/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid?
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).