N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C16H29Cl2N3O2S — CID 119900144

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)CC(C)C2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H27N3O2S.2ClH/c1-11(13-4-6-17-7-5-13)8-15(20)18-9-14-10-22-16(19-14)12(2)21-3;;/h10-13,17H,4-9H2,1-3H3,(H,18,20);2*1H
InChIKeyNVOLSHVIWKQYIJ-UHFFFAOYSA-N
MW398.40 g/mol
LogP3.34
Rot. Bonds7

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119900144) has the molecular formula C16H29Cl2N3O2S and a molecular weight of 398.40 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119900144
Molecular FormulaC16H29Cl2N3O2S
Molecular Weight398.40 g/mol
Exact Mass397.14
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)CC(C)C2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H27N3O2S.2ClH/c1-11(13-4-6-17-7-5-13)8-15(20)18-9-14-10-22-16(19-14)12(2)21-3;;/h10-13,17H,4-9H2,1-3H3,(H,18,20);2*1H
InChIKeyNVOLSHVIWKQYIJ-UHFFFAOYSA-N
XLogP3.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119900133
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
N-[(2-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675421
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119681420
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119882850
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727881

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119900144) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is COC(C)c1nc(CNC(=O)CC(C)C2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is NVOLSHVIWKQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.2ClH/c1-11(13-4-6-17-7-5-13)8-15(20)18-9-14-10-22-16(19-14)12(2)21-3;;/h10-13,17H,4-9H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 398.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).