3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C15H29ClN4O4S — CID 120579124

IUPAC3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C15H28N4O4S.ClH/c16-7-5-14(20)17-12-13-4-1-2-9-19(13)15(21)6-10-18-8-3-11-24(18,22)23;/h13H,1-12,16H2,(H,17,20);1H
InChIKeyQESGWPYQBQERLN-UHFFFAOYSA-N
MW396.94 g/mol
LogP-0.32
Rot. Bonds7

About 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579124) has the molecular formula C15H29ClN4O4S and a molecular weight of 396.94 g/mol. Its IUPAC name is 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579124
Molecular FormulaC15H29ClN4O4S
Molecular Weight396.94 g/mol
Exact Mass396.16
IUPAC Name3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C15H28N4O4S.ClH/c16-7-5-14(20)17-12-13-4-1-2-9-19(13)15(21)6-10-18-8-3-11-24(18,22)23;/h13H,1-12,16H2,(H,17,20);1H
InChIKeyQESGWPYQBQERLN-UHFFFAOYSA-N
XLogP-0.32
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
CID 119633040
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
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-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
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
3-amino-N-[[1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579620
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579124) is 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)CCN1CCCS1(=O)=O.
What is the InChIKey of 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is QESGWPYQBQERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4S.ClH/c16-7-5-14(20)17-12-13-4-1-2-9-19(13)15(21)6-10-18-8-3-11-24(18,22)23;/h13H,1-12,16H2,(H,17,20);1H.
What are the key properties of 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).