ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate

C17H28N2O4S — CID 42744745

IUPACethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C17H28N2O4S/c1-3-5-6-15(20)19-12-24-11-14(19)16(21)18-9-7-13(8-10-18)17(22)23-4-2/h13-14H,3-12H2,1-2H3
InChIKeyOVHQQKSLQICWOR-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.88
Rot. Bonds6

About ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 42744745) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
PubChem CID42744745
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Nameethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
SMILESCCCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C17H28N2O4S/c1-3-5-6-15(20)19-12-24-11-14(19)16(21)18-9-7-13(8-10-18)17(22)23-4-2/h13-14H,3-12H2,1-2H3
InChIKeyOVHQQKSLQICWOR-UHFFFAOYSA-N
XLogP1.88
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(3S,5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidine-4-carboxylate
CID 67506003
Ethyl 4-[4-(3-methylbutanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate
CID 3351885
Ethyl 1-(3-propanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 3706919
Ethyl 1-[2-ethyl-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 4664500
1-[(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 16394988
ethyl 1-((R)-3-((R)-5-oxopyrrolidine-2-carbonyl)thiazolidine-4-carbonyl)piperidine-4-carboxylate
CID 16407827
ethyl 1-[(4S)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 25581724
ethyl 1-[(4S)-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 25581732
ethyl 1-[(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40854999
ethyl 1-[(4R)-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylate
CID 40855001
Ethyl 1-(1-pentanoylpyrrolidine-2-carbonyl)piperidine-4-carboxylate
CID 42702596
Ethyl 1-[3-(2-methylpropanoyl)-1,3-thiazolidine-4-carbonyl]piperidine-3-carboxylate
CID 42744622

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate (CID 42744745) is ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is CCCCC(=O)N1CSCC1C(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is OVHQQKSLQICWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-3-5-6-15(20)19-12-24-11-14(19)16(21)18-9-7-13(8-10-18)17(22)23-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 356.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-pentanoyl-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 42744745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).