methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate

C12H20N2O3 — CID 22691369

IUPACmethyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)9-4-7-14(8-5-9)11(15)10-3-2-6-13-10/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKeyYGQWOCJXBWBNKP-JTQLQIEISA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds2

About methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate

methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate (PubChem CID 22691369) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate
PubChem CID22691369
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)9-4-7-14(8-5-9)11(15)10-3-2-6-13-10/h9-10,13H,2-8H2,1H3/t10-/m0/s1
InChIKeyYGQWOCJXBWBNKP-JTQLQIEISA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
methyl 1-[3-[(2S,5aS,8aR)-1-methyl-5-oxo-2,3,4,5a,6,7,8,8a-octahydropyrrolo[3,2-e][1,4]diazepin-2-yl]propanoyl]piperidine-4-carboxylate
CID 45360795
methyl 1-[3-[(2S,5aS,8aR)-1-methyl-5-oxo-6-propan-2-yl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-2-yl]propanoyl]piperidine-4-carboxylate
CID 45361167
Methyl 4-{[2-(2,5-dioxopyrrolidin-1-YL)acetamido]methyl}piperidine-1-carboxylate
CID 49688746
methyl (2S,4R)-1-methyl-4-({[1-(3-methylbutanoyl)piperidin-4-yl]carbonyl}amino)pyrrolidine-2-carboxylate
CID 50982564
Prolyl-valine methyl ester
CID 13828188
1-(Piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 43212185
(2S)-N-methyl-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93958396
ethyl 2-[1-[(2S,4S)-4-fluoropyrrolidine-2-carbonyl]piperidin-4-yl]acetate
CID 58778931
Methyl 1-[2-[2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 56013415
Ethyl 1-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]piperidine-4-carboxylate
CID 78787343
(4,4-Difluoropyrrolidin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 120349643

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate (CID 22691369) is methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate?
The InChIKey is YGQWOCJXBWBNKP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)9-4-7-14(8-5-9)11(15)10-3-2-6-13-10/h9-10,13H,2-8H2,1H3/t10-/m0/s1.
What are the key properties of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate?
methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 22691369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).