3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C17H29ClN4O3S — CID 120579620

IUPAC3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1sc(=O)n(CCC(=O)N2CCCCC2CNC(=O)CCN)c1C.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-12-13(2)25-17(24)20(12)10-7-16(23)21-9-4-3-5-14(21)11-19-15(22)6-8-18;/h14H,3-11,18H2,1-2H3,(H,19,22);1H
InChIKeyCNLFVOJCXUXUSO-UHFFFAOYSA-N
MW404.96 g/mol
LogP1.18
Rot. Bonds7

About 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579620) has the molecular formula C17H29ClN4O3S and a molecular weight of 404.96 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579620
Molecular FormulaC17H29ClN4O3S
Molecular Weight404.96 g/mol
Exact Mass404.16
IUPAC Name3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1sc(=O)n(CCC(=O)N2CCCCC2CNC(=O)CCN)c1C.Cl
InChIInChI=1S/C17H28N4O3S.ClH/c1-12-13(2)25-17(24)20(12)10-7-16(23)21-9-4-3-5-14(21)11-19-15(22)6-8-18;/h14H,3-11,18H2,1-2H3,(H,19,22);1H
InChIKeyCNLFVOJCXUXUSO-UHFFFAOYSA-N
XLogP1.18
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one;hydrochloride
CID 119631760
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 119435215
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-[3-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 99776966
3-amino-N-[[1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578542
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579124
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579620) is 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1sc(=O)n(CCC(=O)N2CCCCC2CNC(=O)CCN)c1C.Cl.
What is the InChIKey of 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is CNLFVOJCXUXUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S.ClH/c1-12-13(2)25-17(24)20(12)10-7-16(23)21-9-4-3-5-14(21)11-19-15(22)6-8-18;/h14H,3-11,18H2,1-2H3,(H,19,22);1H.
What are the key properties of 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 404.96 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).