(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C16H28ClN3OS — CID 120640813

IUPAC(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCc2csc(C(C)(C)C)n2)CCN1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-11-9-12(5-7-17-11)14(20)18-8-6-13-10-21-15(19-13)16(2,3)4;/h10-12,17H,5-9H2,1-4H3,(H,18,20);1H/t11-,12-;/m0./s1
InChIKeyRQBNFRPSLGXRFG-FXMYHANSSA-N
MW345.94 g/mol
LogP2.91
Rot. Bonds4

About (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120640813) has the molecular formula C16H28ClN3OS and a molecular weight of 345.94 g/mol. Its IUPAC name is (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120640813
Molecular FormulaC16H28ClN3OS
Molecular Weight345.94 g/mol
Exact Mass345.16
IUPAC Name(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCCc2csc(C(C)(C)C)n2)CCN1.Cl
InChIInChI=1S/C16H27N3OS.ClH/c1-11-9-12(5-7-17-11)14(20)18-8-6-13-10-21-15(19-13)16(2,3)4;/h10-12,17H,5-9H2,1-4H3,(H,18,20);1H/t11-,12-;/m0./s1
InChIKeyRQBNFRPSLGXRFG-FXMYHANSSA-N
XLogP2.91
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.94
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411
(2S,4S)-N-[2-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616696
(2S,4S)-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120644604
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106739949
(2S,4S)-N-[2-(2,6-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625296
(2S,4S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120634745
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 106832159
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120640813) is (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCCc2csc(C(C)(C)C)n2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is RQBNFRPSLGXRFG-FXMYHANSSA-N. The full InChI is InChI=1S/C16H27N3OS.ClH/c1-11-9-12(5-7-17-11)14(20)18-8-6-13-10-21-15(19-13)16(2,3)4;/h10-12,17H,5-9H2,1-4H3,(H,18,20);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 345.94 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).