(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C16H21ClN2OS2 — CID 120634916

IUPAC(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC(c2cccs2)c2cccs2)CCN1.Cl
InChIInChI=1S/C16H20N2OS2.ClH/c1-11-10-12(6-7-17-11)16(19)18-15(13-4-2-8-20-13)14-5-3-9-21-14;/h2-5,8-9,11-12,15,17H,6-7,10H2,1H3,(H,18,19);1H/t11-,12-;/m0./s1
InChIKeyFHGKIOOGWYZRKS-FXMYHANSSA-N
MW356.94 g/mol
LogP3.83
Rot. Bonds4

About (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120634916) has the molecular formula C16H21ClN2OS2 and a molecular weight of 356.94 g/mol. Its IUPAC name is (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120634916
Molecular FormulaC16H21ClN2OS2
Molecular Weight356.94 g/mol
Exact Mass356.08
IUPAC Name(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NC(c2cccs2)c2cccs2)CCN1.Cl
InChIInChI=1S/C16H20N2OS2.ClH/c1-11-10-12(6-7-17-11)16(19)18-15(13-4-2-8-20-13)14-5-3-9-21-14;/h2-5,8-9,11-12,15,17H,6-7,10H2,1H3,(H,18,19);1H/t11-,12-;/m0./s1
InChIKeyFHGKIOOGWYZRKS-FXMYHANSSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631379
(2S,4S)-2-methyl-N-[phenyl(pyridin-4-yl)methyl]piperidine-4-carboxamide
CID 120634235
(2S,4S)-N-[furan-2-yl(phenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631631
(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120631423
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120620482
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120634916) is (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NC(c2cccs2)c2cccs2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FHGKIOOGWYZRKS-FXMYHANSSA-N. The full InChI is InChI=1S/C16H20N2OS2.ClH/c1-11-10-12(6-7-17-11)16(19)18-15(13-4-2-8-20-13)14-5-3-9-21-14;/h2-5,8-9,11-12,15,17H,6-7,10H2,1H3,(H,18,19);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(dithiophen-2-ylmethyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120634916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).