methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate

C14H25N3O3 — CID 61029365

IUPACmethyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-20-14(19)11-16-6-8-17(9-7-16)13(18)10-12-2-4-15-5-3-12/h12,15H,2-11H2,1H3
InChIKeyFIQJYSGKVXVHMB-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds4

About methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate

methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate (PubChem CID 61029365) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
PubChem CID61029365
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-20-14(19)11-16-6-8-17(9-7-16)13(18)10-12-2-4-15-5-3-12/h12,15H,2-11H2,1H3
InChIKeyFIQJYSGKVXVHMB-UHFFFAOYSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
CID 64611192
N,N-dimethyl-2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetamide
CID 61028980
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 61030469
ethyl 2-[4-(2-cyclohexylacetyl)piperazin-1-yl]acetate
CID 134032765
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
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
methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate (CID 61029365) is methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)CC2CCNCC2)CC1.
What is the InChIKey of methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate?
The InChIKey is FIQJYSGKVXVHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-20-14(19)11-16-6-8-17(9-7-16)13(18)10-12-2-4-15-5-3-12/h12,15H,2-11H2,1H3.
What are the key properties of methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate?
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate has a molecular weight of 283.37 g/mol, XLogP of -0.31, 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-piperidin-4-ylacetyl)piperazin-1-yl]acetate is sourced from PubChem (CID 61029365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).