methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate

C14H26N2O2 — CID 83998161

IUPACmethyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-14(17)11-16-8-4-7-13(10-16)15-9-12-5-2-3-6-12/h12-13,15H,2-11H2,1H3
InChIKeyGGNKLWBLZAFTIR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate

methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate (PubChem CID 83998161) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
PubChem CID83998161
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-14(17)11-16-8-4-7-13(10-16)15-9-12-5-2-3-6-12/h12-13,15H,2-11H2,1H3
InChIKeyGGNKLWBLZAFTIR-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999544
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859
N-[2-[3-(cyclopentylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998270
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
N-[2-[3-(cyclohexylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998962
ethyl 2-[3-(ethylamino)piperidin-1-yl]acetate
CID 83990671
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996782
2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile
CID 83998178
2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile
CID 83998870

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate (CID 83998161) is methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate is COC(=O)CN1CCCC(NCC2CCCC2)C1.
What is the InChIKey of methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
The InChIKey is GGNKLWBLZAFTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-14(17)11-16-8-4-7-13(10-16)15-9-12-5-2-3-6-12/h12-13,15H,2-11H2,1H3.
What are the key properties of methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate?
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83998161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).