N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride

C14H25Cl2N3OS — CID 119864913

IUPACN-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
SMILESCC(CC(=O)N(C)Cc1cscn1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-11(12-3-5-15-6-4-12)7-14(18)17(2)8-13-9-19-10-16-13;;/h9-12,15H,3-8H2,1-2H3;2*1H
InChIKeyVOPKGKYBIRLUGX-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.97
Rot. Bonds5

About N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride

N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride (PubChem CID 119864913) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
PubChem CID119864913
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC NameN-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
SMILESCC(CC(=O)N(C)Cc1cscn1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-11(12-3-5-15-6-4-12)7-14(18)17(2)8-13-9-19-10-16-13;;/h9-12,15H,3-8H2,1-2H3;2*1H
InChIKeyVOPKGKYBIRLUGX-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 119891621
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020
2-(azetidin-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 116677484
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide;dihydrochloride
CID 119864909
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119764793
(E)-but-2-enedioic acid;N-(2-methylpropyl)-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 68574582
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
CID 113497026
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride?
The IUPAC name of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride (CID 119864913) is N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride.
What is the SMILES notation for N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride?
The canonical SMILES for N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride is CC(CC(=O)N(C)Cc1cscn1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride?
The InChIKey is VOPKGKYBIRLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-11(12-3-5-15-6-4-12)7-14(18)17(2)8-13-9-19-10-16-13;;/h9-12,15H,3-8H2,1-2H3;2*1H.
What are the key properties of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride?
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119864913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).