ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate

C15H28N2O2 — CID 106631700

IUPACethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-14(15(18)19-4-2)17(13-8-9-13)11-12-7-5-6-10-16-12/h12-14,16H,3-11H2,1-2H3
InChIKeyYCNKKWBQANFVOM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds7

About ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate

ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate (PubChem CID 106631700) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
PubChem CID106631700
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-3-14(15(18)19-4-2)17(13-8-9-13)11-12-7-5-6-10-16-12/h12-14,16H,3-11H2,1-2H3
InChIKeyYCNKKWBQANFVOM-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
N-pentan-2-yl-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621821
ethyl 2-[cyclopropyl(2-methylpropyl)amino]butanoate
CID 64661063
2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
CID 106632123
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
ethyl 2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]butanoate
CID 64663364
N-(1-cyclopropylbutyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 114276073
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
CID 83050233
N-tert-butyl-2-[cyclopropyl(piperidin-2-ylmethyl)amino]propanamide
CID 106631536
N-(2,6-dimethylheptan-4-yl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621648
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
CID 106631734

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate?
The IUPAC name of ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate (CID 106631700) is ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate?
The canonical SMILES for ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate is CCOC(=O)C(CC)N(CC1CCCCN1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate?
The InChIKey is YCNKKWBQANFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-14(15(18)19-4-2)17(13-8-9-13)11-12-7-5-6-10-16-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate?
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate is sourced from PubChem (CID 106631700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).