methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate

C14H26N4O3 — CID 79323233

IUPACmethyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)CN2CCC(N)CC2)CC1
InChIInChI=1S/C14H26N4O3/c1-21-14(20)11-17-6-8-18(9-7-17)13(19)10-16-4-2-12(15)3-5-16/h12H,2-11,15H2,1H3
InChIKeyDBAOZDOGABSPPV-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.27
Rot. Bonds4

About methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate

methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate (PubChem CID 79323233) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
PubChem CID79323233
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Namemethyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)CN2CCC(N)CC2)CC1
InChIInChI=1S/C14H26N4O3/c1-21-14(20)11-17-6-8-18(9-7-17)13(19)10-16-4-2-12(15)3-5-16/h12H,2-11,15H2,1H3
InChIKeyDBAOZDOGABSPPV-UHFFFAOYSA-N
XLogP-1.27
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365
methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
CID 64611192
methyl 2-(4-butanoylpiperazin-1-yl)acetate
CID 61238524
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
methyl 2-[4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]piperazin-1-yl]acetate
CID 61115932
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 79328558
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate (CID 79323233) is methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)CN2CCC(N)CC2)CC1.
What is the InChIKey of methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate?
The InChIKey is DBAOZDOGABSPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-21-14(20)11-17-6-8-18(9-7-17)13(19)10-16-4-2-12(15)3-5-16/h12H,2-11,15H2,1H3.
What are the key properties of methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate?
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate has a molecular weight of 298.39 g/mol, XLogP of -1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate is sourced from PubChem (CID 79323233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).