(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride

C15H26ClN3OS — CID 120635411

IUPAC(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1csc(CCCCNC(=O)[C@H]2CCN[C@@H](C)C2)n1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-11-9-13(6-8-16-11)15(19)17-7-4-3-5-14-18-12(2)10-20-14;/h10-11,13,16H,3-9H2,1-2H3,(H,17,19);1H/t11-,13-;/m0./s1
InChIKeyJJMOFDDMAQSWFD-JZKFLRDJSA-N
MW331.91 g/mol
LogP2.70
Rot. Bonds6

About (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120635411) has the molecular formula C15H26ClN3OS and a molecular weight of 331.91 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120635411
Molecular FormulaC15H26ClN3OS
Molecular Weight331.91 g/mol
Exact Mass331.15
IUPAC Name(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1csc(CCCCNC(=O)[C@H]2CCN[C@@H](C)C2)n1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-11-9-13(6-8-16-11)15(19)17-7-4-3-5-14-18-12(2)10-20-14;/h10-11,13,16H,3-9H2,1-2H3,(H,17,19);1H/t11-,13-;/m0./s1
InChIKeyJJMOFDDMAQSWFD-JZKFLRDJSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
trans-(1R,2R)-2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119577
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
(2S,4S)-N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120640813
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 106832159
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
(2S,4S)-2-methyl-N-[4-(4-nitrophenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120631574
(2S,4S)-N-[3-[(4-fluorobenzoyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632447
(2S,4S)-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120644604

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride (CID 120635411) is (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride is Cc1csc(CCCCNC(=O)[C@H]2CCN[C@@H](C)C2)n1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JJMOFDDMAQSWFD-JZKFLRDJSA-N. The full InChI is InChI=1S/C15H25N3OS.ClH/c1-11-9-13(6-8-16-11)15(19)17-7-4-3-5-14-18-12(2)10-20-14;/h10-11,13,16H,3-9H2,1-2H3,(H,17,19);1H/t11-,13-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 331.91 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).