piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid

C11H21N3O3 — CID 20757881

IUPACpiperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC(=O)N1CCCCC1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O.C5H9NO2/c7-6(9)8-4-2-1-3-5-8;7-5(8)4-2-1-3-6-4/h1-5H2,(H2,7,9);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyZCLKDJJRTLOEBX-VWMHFEHESA-N
MW243.31 g/mol
LogP0.37
Rot. Bonds1

About piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid

piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 20757881) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namepiperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID20757881
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namepiperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC(=O)N1CCCCC1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O.C5H9NO2/c7-6(9)8-4-2-1-3-5-8;7-5(8)4-2-1-3-6-4/h1-5H2,(H2,7,9);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyZCLKDJJRTLOEBX-VWMHFEHESA-N
XLogP0.37
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid (CID 20757881) is piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid is NC(=O)N1CCCCC1.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is ZCLKDJJRTLOEBX-VWMHFEHESA-N. The full InChI is InChI=1S/C6H12N2O.C5H9NO2/c7-6(9)8-4-2-1-3-5-8;7-5(8)4-2-1-3-6-4/h1-5H2,(H2,7,9);4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid?
piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxamide;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 20757881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).