ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate

C14H25N3O3 — CID 91282488

IUPACethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CNC1CCCNC1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)12-6-4-8-17(12)13(18)10-16-11-5-3-7-15-9-11/h11-12,15-16H,2-10H2,1H3
InChIKeyRYFPZALOELLJLW-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.12
Rot. Bonds5

About ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate (PubChem CID 91282488) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate
PubChem CID91282488
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CNC1CCCNC1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)12-6-4-8-17(12)13(18)10-16-11-5-3-7-15-9-11/h11-12,15-16H,2-10H2,1H3
InChIKeyRYFPZALOELLJLW-UHFFFAOYSA-N
XLogP-0.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl 1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylate
CID 81128745
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-[C-(hydroxymethyl)-N-piperidin-3-ylcarbonimidoyl]pyrrolidine-2-carboxylate
CID 91454243
ethyl 1-piperidin-3-ylpyrrolidine-2-carboxylate
CID 57072792
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate (CID 91282488) is ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)CNC1CCCNC1.
What is the InChIKey of ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is RYFPZALOELLJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-14(19)12-6-4-8-17(12)13(18)10-16-11-5-3-7-15-9-11/h11-12,15-16H,2-10H2,1H3.
What are the key properties of ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 283.37 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(piperidin-3-ylamino)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 91282488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).