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

C12H21ClN2O3 — CID 141428361

IUPACmethyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl
InChIInChI=1S/C12H20N2O3.ClH/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;1H/t10-;/m0./s1
InChIKeyMBTBFCGRBTWCNT-PPHPATTJSA-N
MW276.76 g/mol
LogP0.57
Rot. Bonds2

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

methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 141428361) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride
PubChem CID141428361
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Namemethyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl
InChIInChI=1S/C12H20N2O3.ClH/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;1H/t10-;/m0./s1
InChIKeyMBTBFCGRBTWCNT-PPHPATTJSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 (2S,4R)-1-methyl-4-({[1-(3-methylbutanoyl)piperidin-4-yl]carbonyl}amino)pyrrolidine-2-carboxylate
CID 50982564
1-(Piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 43212185
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
(4,4-Difluoropyrrolidin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 120349643
(4,4-Difluoropyrrolidin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 120349644
Methyl 1-(4,4-difluoropyrrolidine-2-carbonyl)piperidine-4-carboxylate;hydrochloride
CID 120954660
Methyl 1-(4,4-difluoropyrrolidine-2-carbonyl)piperidine-4-carboxylate
CID 120954661
Ethyl 1-(4,4-difluoropyrrolidine-2-carbonyl)piperidine-4-carboxylate;hydrochloride
CID 120954664
Ethyl 1-(4,4-difluoropyrrolidine-2-carbonyl)piperidine-4-carboxylate
CID 120954665

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride (CID 141428361) is methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride is COC(=O)C1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.
What is the InChIKey of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is MBTBFCGRBTWCNT-PPHPATTJSA-N. The full InChI is InChI=1S/C12H20N2O3.ClH/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;1H/t10-;/m0./s1.
What are the key properties of methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride?
methyl 1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 0.57, 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;hydrochloride is sourced from PubChem (CID 141428361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).