methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate

C15H28N2O3 — CID 63971806

IUPACmethyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
SMILESCOCC1CCN(CCC(NC2CC2)C(=O)OC)CC1
InChIInChI=1S/C15H28N2O3/c1-19-11-12-5-8-17(9-6-12)10-7-14(15(18)20-2)16-13-3-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyKDHCUDOBGRYADC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.03
Rot. Bonds8

About methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate

methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate (PubChem CID 63971806) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
PubChem CID63971806
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namemethyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
SMILESCOCC1CCN(CCC(NC2CC2)C(=O)OC)CC1
InChIInChI=1S/C15H28N2O3/c1-19-11-12-5-8-17(9-6-12)10-7-14(15(18)20-2)16-13-3-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyKDHCUDOBGRYADC-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(4-ethylpiperidin-1-yl)butanoate
CID 63053623
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
CID 63027972
methyl 2-(cyclopropylamino)-4-(2-methylmorpholin-4-yl)butanoate
CID 63029546
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
methyl 2-(cyclopropylamino)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 63028394
2-(cyclopropylamino)-4-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 64811260
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-amine
CID 81080497
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
methyl 2-(cyclopropylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274429
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate (CID 63971806) is methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate is COCC1CCN(CCC(NC2CC2)C(=O)OC)CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
The InChIKey is KDHCUDOBGRYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-19-11-12-5-8-17(9-6-12)10-7-14(15(18)20-2)16-13-3-4-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate?
methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate has a molecular weight of 284.40 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 63971806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).