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

C14H25Cl2N3OS — CID 119875284

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1csc(CCCCNC(=O)C2CCCNC2)n1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-11-10-19-13(17-11)6-2-3-8-16-14(18)12-5-4-7-15-9-12;;/h10,12,15H,2-9H2,1H3,(H,16,18);2*1H
InChIKeyQQKVBKBVXNYPAJ-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.73
Rot. Bonds6

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

N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119875284) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119875284
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1csc(CCCCNC(=O)C2CCCNC2)n1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-11-10-19-13(17-11)6-2-3-8-16-14(18)12-5-4-7-15-9-12;;/h10,12,15H,2-9H2,1H3,(H,16,18);2*1H
InChIKeyQQKVBKBVXNYPAJ-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.73
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

(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
CID 119875478
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 110471916
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 97113726
trans-(1R,2R)-2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119577
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride (CID 119875284) is N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride is Cc1csc(CCCCNC(=O)C2CCCNC2)n1.Cl.Cl.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is QQKVBKBVXNYPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-11-10-19-13(17-11)6-2-3-8-16-14(18)12-5-4-7-15-9-12;;/h10,12,15H,2-9H2,1H3,(H,16,18);2*1H.
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride?
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119875284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).