N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

C23H39N3O5S — CID 42961087

IUPACN-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC1CN(C(=O)C2CCN(CC(=O)N(C3CCCC3)C3CCS(=O)(=O)C3)CC2)CC(C)O1
InChIInChI=1S/C23H39N3O5S/c1-17-13-25(14-18(2)31-17)23(28)19-7-10-24(11-8-19)15-22(27)26(20-5-3-4-6-20)21-9-12-32(29,30)16-21/h17-21H,3-16H2,1-2H3
InChIKeyHEUUGABSFSRRGQ-UHFFFAOYSA-N
MW469.65 g/mol
LogP1.29
Rot. Bonds5

About N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide

N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 42961087) has the molecular formula C23H39N3O5S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID42961087
Molecular FormulaC23H39N3O5S
Molecular Weight469.65 g/mol
Exact Mass469.26
IUPAC NameN-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC1CN(C(=O)C2CCN(CC(=O)N(C3CCCC3)C3CCS(=O)(=O)C3)CC2)CC(C)O1
InChIInChI=1S/C23H39N3O5S/c1-17-13-25(14-18(2)31-17)23(28)19-7-10-24(11-8-19)15-22(27)26(20-5-3-4-6-20)21-9-12-32(29,30)16-21/h17-21H,3-16H2,1-2H3
InChIKeyHEUUGABSFSRRGQ-UHFFFAOYSA-N
XLogP1.29
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 48940020
tert-butyl 4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55482342
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919657
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701508
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30633266
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55409034
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
N-cyclopentyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30627398

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 42961087) is N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is CC1CN(C(=O)C2CCN(CC(=O)N(C3CCCC3)C3CCS(=O)(=O)C3)CC2)CC(C)O1.
What is the InChIKey of N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HEUUGABSFSRRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O5S/c1-17-13-25(14-18(2)31-17)23(28)19-7-10-24(11-8-19)15-22(27)26(20-5-3-4-6-20)21-9-12-32(29,30)16-21/h17-21H,3-16H2,1-2H3.
What are the key properties of N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide?
N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 469.65 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 42961087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).