ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate

C14H26N2O2 — CID 120850265

IUPACethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1CCCNC1)C1CCC1
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)11-16(13-6-3-7-13)10-12-5-4-8-15-9-12/h12-13,15H,2-11H2,1H3
InChIKeyXWQKJCYSFBPCKL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds6

About ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate

ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate (PubChem CID 120850265) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
PubChem CID120850265
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1CCCNC1)C1CCC1
InChIInChI=1S/C14H26N2O2/c1-2-18-14(17)11-16(13-6-3-7-13)10-12-5-4-8-15-9-12/h12-13,15H,2-11H2,1H3
InChIKeyXWQKJCYSFBPCKL-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
CID 106630010
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
N-(2-ethoxyethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639978
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-ynylacetamide
CID 106639554
N-(2-ethylsulfonylethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640099
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate (CID 120850265) is ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate is CCOC(=O)CN(CC1CCCNC1)C1CCC1.
What is the InChIKey of ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate?
The InChIKey is XWQKJCYSFBPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-18-14(17)11-16(13-6-3-7-13)10-12-5-4-8-15-9-12/h12-13,15H,2-11H2,1H3.
What are the key properties of ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate?
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate is sourced from PubChem (CID 120850265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).