1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

C14H23N3O5S — CID 110673345

IUPAC1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H23N3O5S/c1-10(18)17-5-2-11(3-6-17)14(20)15-8-13(19)16-12-4-7-23(21,22)9-12/h11-12H,2-9H2,1H3,(H,15,20)(H,16,19)
InChIKeyLZPWUMHWCSIHLA-UHFFFAOYSA-N
MW345.42 g/mol
LogP-1.34
Rot. Bonds4

About 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 110673345) has the molecular formula C14H23N3O5S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID110673345
Molecular FormulaC14H23N3O5S
Molecular Weight345.42 g/mol
Exact Mass345.14
IUPAC Name1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H23N3O5S/c1-10(18)17-5-2-11(3-6-17)14(20)15-8-13(19)16-12-4-7-23(21,22)9-12/h11-12H,2-9H2,1H3,(H,15,20)(H,16,19)
InChIKeyLZPWUMHWCSIHLA-UHFFFAOYSA-N
XLogP-1.34
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 112993782
methyl 4-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 110673347
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-pyrrolidin-1-ylbenzamide
CID 110406991
3-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961203
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide (CID 110673345) is 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC(=O)NC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LZPWUMHWCSIHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S/c1-10(18)17-5-2-11(3-6-17)14(20)15-8-13(19)16-12-4-7-23(21,22)9-12/h11-12H,2-9H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of -1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110673345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).