N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride

C20H28Cl2N4O2S — CID 119479488

IUPACN-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl
InChIInChI=1S/C20H26N4O2S.2ClH/c1-14-18(27-17(23-14)12-15-6-3-2-4-7-15)20(26)24-11-5-8-16(13-24)19(25)22-10-9-21;;/h2-4,6-7,16H,5,8-13,21H2,1H3,(H,22,25);2*1H
InChIKeyGMYFZDJOSCGIPW-UHFFFAOYSA-N
MW459.44 g/mol
LogP2.81
Rot. Bonds6

About N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119479488) has the molecular formula C20H28Cl2N4O2S and a molecular weight of 459.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119479488
Molecular FormulaC20H28Cl2N4O2S
Molecular Weight459.44 g/mol
Exact Mass458.13
IUPAC NameN-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl
InChIInChI=1S/C20H26N4O2S.2ClH/c1-14-18(27-17(23-14)12-15-6-3-2-4-7-15)20(26)24-11-5-8-16(13-24)19(25)22-10-9-21;;/h2-4,6-7,16H,5,8-13,21H2,1H3,(H,22,25);2*1H
InChIKeyGMYFZDJOSCGIPW-UHFFFAOYSA-N
XLogP2.81
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479884
(3R)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695692
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482336
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
N-(2-aminoethyl)-1-(4-methylquinoline-2-carbonyl)piperidine-3-carboxamide
CID 126791837
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
1-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-N-propylpiperidine-3-carboxamide
CID 49402410
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481606

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 119479488) is N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride is Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is GMYFZDJOSCGIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S.2ClH/c1-14-18(27-17(23-14)12-15-6-3-2-4-7-15)20(26)24-11-5-8-16(13-24)19(25)22-10-9-21;;/h2-4,6-7,16H,5,8-13,21H2,1H3,(H,22,25);2*1H.
What are the key properties of N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 459.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119479488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).