methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate

C12H21N3O3 — CID 64611192

IUPACmethyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-12(17)9-14-2-4-15(5-3-14)11(16)6-10-7-13-8-10/h10,13H,2-9H2,1H3
InChIKeyZGHVUKYKFFEGDF-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.09
Rot. Bonds4

About methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate

methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate (PubChem CID 64611192) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
PubChem CID64611192
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namemethyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-12(17)9-14-2-4-15(5-3-14)11(16)6-10-7-13-8-10/h10,13H,2-9H2,1H3
InChIKeyZGHVUKYKFFEGDF-UHFFFAOYSA-N
XLogP-1.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
CID 64617361
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
methyl 2-(4-butanoylpiperazin-1-yl)acetate
CID 61238524
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
methyl 2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetate
CID 60915647
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367
cis-(1S,2R)-2-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 93379447
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate (CID 64611192) is methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate?
The InChIKey is ZGHVUKYKFFEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-18-12(17)9-14-2-4-15(5-3-14)11(16)6-10-7-13-8-10/h10,13H,2-9H2,1H3.
What are the key properties of methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate?
methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate has a molecular weight of 255.32 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate is sourced from PubChem (CID 64611192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).