[(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

C16H31ClN2O — CID 120639276

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCCC(C)C1CCCN1C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-4-6-12(2)15-7-5-10-18(15)16(19)14-8-9-17-13(3)11-14;/h12-15,17H,4-11H2,1-3H3;1H/t12?,13-,14-,15?;/m0./s1
InChIKeyOSWIUBXLRCNWAU-TWGOXVISSA-N
MW302.89 g/mol
LogP3.22
Rot. Bonds4

About [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

[(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120639276) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120639276
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCCC(C)C1CCCN1C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-4-6-12(2)15-7-5-10-18(15)16(19)14-8-9-17-13(3)11-14;/h12-15,17H,4-11H2,1-3H3;1H/t12?,13-,14-,15?;/m0./s1
InChIKeyOSWIUBXLRCNWAU-TWGOXVISSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

[2-(3-methylbutyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120639137
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120622961
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
[3-(ethoxymethyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120633122
piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119326458
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120639276) is [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is CCCC(C)C1CCCN1C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is OSWIUBXLRCNWAU-TWGOXVISSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-4-6-12(2)15-7-5-10-18(15)16(19)14-8-9-17-13(3)11-14;/h12-15,17H,4-11H2,1-3H3;1H/t12?,13-,14-,15?;/m0./s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
[(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-(2-pentan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120639276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).