methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate

C13H24N2O2 — CID 103244360

IUPACmethyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
SMILESCOC(=O)C(NCCN1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)12(11-5-6-11)14-7-10-15-8-3-2-4-9-15/h11-12,14H,2-10H2,1H3
InChIKeyKDCMQGMQKATFPD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds6

About methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate

methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate (PubChem CID 103244360) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
PubChem CID103244360
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
SMILESCOC(=O)C(NCCN1CCCCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)12(11-5-6-11)14-7-10-15-8-3-2-4-9-15/h11-12,14H,2-10H2,1H3
InChIKeyKDCMQGMQKATFPD-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
CID 103259490
methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
CID 82891647
N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate?
The IUPAC name of methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate (CID 103244360) is methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate is COC(=O)C(NCCN1CCCCC1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate?
The InChIKey is KDCMQGMQKATFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-13(16)12(11-5-6-11)14-7-10-15-8-3-2-4-9-15/h11-12,14H,2-10H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate?
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate is sourced from PubChem (CID 103244360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).