ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate

C12H24N2O2 — CID 60681705

IUPACethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
SMILESCCCN1CCC(NCC(=O)OCC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-7-14-8-5-11(6-9-14)13-10-12(15)16-4-2/h11,13H,3-10H2,1-2H3
InChIKeyODNCMUPPCPTLRN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate

ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate (PubChem CID 60681705) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
PubChem CID60681705
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
SMILESCCCN1CCC(NCC(=O)OCC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-7-14-8-5-11(6-9-14)13-10-12(15)16-4-2/h11,13H,3-10H2,1-2H3
InChIKeyODNCMUPPCPTLRN-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
1-(4-methylpiperazin-1-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695559
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
N-methyl-N-propan-2-yl-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695690
2-[(1-propylpiperidin-4-yl)amino]ethyl carbamate
CID 83211120
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
3-methyl-4-[(1-propylpiperidin-4-yl)amino]but-2-enoic acid
CID 103246980
N-pentan-2-yl-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695886
N-(4-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695712
ethyl 4-[[N'-methyl-N-(1-propylpiperidin-4-yl)carbamimidoyl]amino]butanoate
CID 111018205
ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
CID 65083489
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate (CID 60681705) is ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate is CCCN1CCC(NCC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate?
The InChIKey is ODNCMUPPCPTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-14-8-5-11(6-9-14)13-10-12(15)16-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate?
ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate has a molecular weight of 228.34 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 ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 60681705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).