methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate

C16H28N2O3 — CID 79645623

IUPACmethyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(N2CCC(OC)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-20-14-6-9-18(10-7-14)13-5-8-16(11-13,15(19)21-2)17-12-3-4-12/h12-14,17H,3-11H2,1-2H3
InChIKeyBGLHXGLDYZRGRN-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.31
Rot. Bonds5

About methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79645623) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79645623
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(N2CCC(OC)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-20-14-6-9-18(10-7-14)13-5-8-16(11-13,15(19)21-2)17-12-3-4-12/h12-14,17H,3-11H2,1-2H3
InChIKeyBGLHXGLDYZRGRN-UHFFFAOYSA-N
XLogP1.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate (CID 79645623) is methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(N2CCC(OC)CC2)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is BGLHXGLDYZRGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-20-14-6-9-18(10-7-14)13-5-8-16(11-13,15(19)21-2)17-12-3-4-12/h12-14,17H,3-11H2,1-2H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-(4-methoxypiperidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).