N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C15H27Cl2N3OS — CID 119898116

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)CC(C)C2CCCNC2)s1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-10(13-5-4-6-16-9-13)7-14(19)18-12(3)15-17-8-11(2)20-15;;/h8,10,12-13,16H,4-7,9H2,1-3H3,(H,18,19);2*1H
InChIKeyDGFLBFRVMVGKRG-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119898116) has the molecular formula C15H27Cl2N3OS and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119898116
Molecular FormulaC15H27Cl2N3OS
Molecular Weight368.37 g/mol
Exact Mass367.13
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCc1cnc(C(C)NC(=O)CC(C)C2CCCNC2)s1.Cl.Cl
InChIInChI=1S/C15H25N3OS.2ClH/c1-10(13-5-4-6-16-9-13)7-14(19)18-12(3)15-17-8-11(2)20-15;;/h8,10,12-13,16H,4-7,9H2,1-3H3,(H,18,19);2*1H
InChIKeyDGFLBFRVMVGKRG-UHFFFAOYSA-N
XLogP3.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119890773
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
CID 119779768
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide
CID 81044210
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119898116) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is Cc1cnc(C(C)NC(=O)CC(C)C2CCCNC2)s1.Cl.Cl.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is DGFLBFRVMVGKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.2ClH/c1-10(13-5-4-6-16-9-13)7-14(19)18-12(3)15-17-8-11(2)20-15;;/h8,10,12-13,16H,4-7,9H2,1-3H3,(H,18,19);2*1H.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 368.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119898116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).