ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate

C15H28N2O2 — CID 63027972

IUPACethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCC(C)CC1)NC1CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)14(16-13-4-5-13)8-11-17-9-6-12(2)7-10-17/h12-14,16H,3-11H2,1-2H3
InChIKeyKDYACQGYGSWEBS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds7

About ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate

ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate (PubChem CID 63027972) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
PubChem CID63027972
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCC(C)CC1)NC1CC1
InChIInChI=1S/C15H28N2O2/c1-3-19-15(18)14(16-13-4-5-13)8-11-17-9-6-12(2)7-10-17/h12-14,16H,3-11H2,1-2H3
InChIKeyKDYACQGYGSWEBS-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate (CID 63027972) is ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate is CCOC(=O)C(CCN1CCC(C)CC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate?
The InChIKey is KDYACQGYGSWEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-15(18)14(16-13-4-5-13)8-11-17-9-6-12(2)7-10-17/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate?
ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(4-methylpiperidin-1-yl)butanoate is sourced from PubChem (CID 63027972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).