(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride

C12H23ClN2O2 — CID 119782231

IUPAC(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H]2CCCCN2)CCCO1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(6-4-8-16-12)9-14-11(15)10-5-2-3-7-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H/t10-,12?;/m0./s1
InChIKeyONBCFCMCCDNJOE-JQQXDGTNSA-N
MW262.78 g/mol
LogP1.24
Rot. Bonds3

About (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119782231) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119782231
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H]2CCCCN2)CCCO1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-12(6-4-8-16-12)9-14-11(15)10-5-2-3-7-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H/t10-,12?;/m0./s1
InChIKeyONBCFCMCCDNJOE-JQQXDGTNSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119682228
N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide
CID 114240294
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
(2S)-N-[(1-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 63829240
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119325049
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457
1-[(azepane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442641
N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
CID 104954794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119782231) is (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride is CC1(CNC(=O)[C@@H]2CCCCN2)CCCO1.Cl.
What is the InChIKey of (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ONBCFCMCCDNJOE-JQQXDGTNSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-12(6-4-8-16-12)9-14-11(15)10-5-2-3-7-13-10;/h10,13H,2-9H2,1H3,(H,14,15);1H/t10-,12?;/m0./s1.
What are the key properties of (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119782231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).