ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate

C15H27N3O3 — CID 20907546

IUPACethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-14(19)11-16-15(20)18-9-5-13(6-10-18)12-17-7-3-4-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyTUBVQNFPEIMMNN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.07
Rot. Bonds5

About ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate (PubChem CID 20907546) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
PubChem CID20907546
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-14(19)11-16-15(20)18-9-5-13(6-10-18)12-17-7-3-4-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyTUBVQNFPEIMMNN-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
ethyl 2-[[4-[3-(cyclopropylcarbamoyl)piperidin-1-yl]piperidine-1-carbonyl]amino]acetate
CID 45208447
ethyl 2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]acetate
CID 112697824
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
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4-(azepan-1-ylmethyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]piperidine-1-carboxamide
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4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
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ethyl 2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]acetate
CID 107405958
1-[(2-ethoxy-2-oxoethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563112
ethyl N-[(2R)-3-methyl-1-oxo-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-yl]carbamate
CID 95977915
ethyl 2-(2-pyrrolidin-1-ylethylcarbamoylamino)acetate
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ethyl 2-[4-[[1-(2-cyclohexylacetyl)piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 176578183

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate (CID 20907546) is ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is TUBVQNFPEIMMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-14(19)11-16-15(20)18-9-5-13(6-10-18)12-17-7-3-4-8-17/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 297.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 20907546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).