1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride

C17H32ClN3O2S — CID 119647278

IUPAC1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCC(CNCC)CC1.Cl
InChIInChI=1S/C17H31N3O2S.ClH/c1-3-5-6-16(21)20-13-23-12-15(20)17(22)19-9-7-14(8-10-19)11-18-4-2;/h14-15,18H,3-13H2,1-2H3;1H
InChIKeyQJFTUSROCQKEJF-UHFFFAOYSA-N
MW377.98 g/mol
LogP2.35
Rot. Bonds7

About 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride

1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride (PubChem CID 119647278) has the molecular formula C17H32ClN3O2S and a molecular weight of 377.98 g/mol. Its IUPAC name is 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
PubChem CID119647278
Molecular FormulaC17H32ClN3O2S
Molecular Weight377.98 g/mol
Exact Mass377.19
IUPAC Name1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCC(CNCC)CC1.Cl
InChIInChI=1S/C17H31N3O2S.ClH/c1-3-5-6-16(21)20-13-23-12-15(20)17(22)19-9-7-14(8-10-19)11-18-4-2;/h14-15,18H,3-13H2,1-2H3;1H
InChIKeyQJFTUSROCQKEJF-UHFFFAOYSA-N
XLogP2.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.98
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 42744753
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 119622415
1-[4-(3-methylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride
CID 119579628
1-(3-butanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 119166620
1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-3-carboxylic acid
CID 119167612
1-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one;hydrochloride
CID 119539246
5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119647811
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 119648376
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119645132
1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
The IUPAC name of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride (CID 119647278) is 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride is CCCCC(=O)N1CSCC1C(=O)N1CCC(CNCC)CC1.Cl.
What is the InChIKey of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
The InChIKey is QJFTUSROCQKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S.ClH/c1-3-5-6-16(21)20-13-23-12-15(20)17(22)19-9-7-14(8-10-19)11-18-4-2;/h14-15,18H,3-13H2,1-2H3;1H.
What are the key properties of 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride?
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride has a molecular weight of 377.98 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119647278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).