(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride

C12H19ClN2OS — CID 119707041

IUPAC(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccsc1CNC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9-5-7-16-11(9)8-14-12(15)10-4-2-3-6-13-10;/h5,7,10,13H,2-4,6,8H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyAODQOMVWEWPURS-HNCPQSOCSA-N
MW274.82 g/mol
LogP2.24
Rot. Bonds3

About (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride

(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119707041) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119707041
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1ccsc1CNC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C12H18N2OS.ClH/c1-9-5-7-16-11(9)8-14-12(15)10-4-2-3-6-13-10;/h5,7,10,13H,2-4,6,8H2,1H3,(H,14,15);1H/t10-;/m1./s1
InChIKeyAODQOMVWEWPURS-HNCPQSOCSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891845
(2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891816
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
CID 45108547
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride (CID 119707041) is (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride is Cc1ccsc1CNC(=O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is AODQOMVWEWPURS-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c1-9-5-7-16-11(9)8-14-12(15)10-4-2-3-6-13-10;/h5,7,10,13H,2-4,6,8H2,1H3,(H,14,15);1H/t10-;/m1./s1.
What are the key properties of (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119707041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).