2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide

C16H27N3O3 — CID 54255688

IUPAC2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1
InChIInChI=1S/C16H27N3O3/c1-12(20)18-9-6-14(7-10-18)19-8-4-5-13(16(19)22)11-15(21)17(2)3/h13-14H,4-11H2,1-3H3
InChIKeyQZXFTJYZNGRURT-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.71
Rot. Bonds3

About 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide

2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide (PubChem CID 54255688) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide
PubChem CID54255688
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1
InChIInChI=1S/C16H27N3O3/c1-12(20)18-9-6-14(7-10-18)19-8-4-5-13(16(19)22)11-15(21)17(2)3/h13-14H,4-11H2,1-3H3
InChIKeyQZXFTJYZNGRURT-UHFFFAOYSA-N
XLogP0.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 97406503
1,6-bis(3-(N,N-diethylcarbamoyl)piperidino)hexane
CID 121329
Cambridge id 5465862
CID 2846715
1-[4-(Piperidine-1-carbonyl)-[1,4'-bipiperidin]-1'-YL]pentan-1-one
CID 42693384
2-(1-Acetylpiperidin-4-YL)-1-{2-[2-(pyrrolidin-1-YL)ethyl]piperidin-1-YL}ethan-1-one
CID 53193451
1-[1-[1-(Cyclopentanecarbonyl)piperidine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 134796164
1-[1-[1-(Cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 134798101
2-Hexyl-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 102277838
1,6-Bis(4-methylpiperidin-1-yl)hexane-1,6-dione
CID 4990135
1,6-Bis(3,5-dimethylpiperidin-1-yl)hexane-1,6-dione
CID 3720425
N,N-diethyl-1'-propyl-1,4'-bipiperidine-3-carboxamide
CID 5333523
1'-(cyclopropylcarbonyl)-N-isobutyl-N-methyl-1,4'-bipiperidine-3-carboxamide
CID 45182085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide (CID 54255688) is 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide is CC(=O)N1CCC(N2CCCC(CC(=O)N(C)C)C2=O)CC1.
What is the InChIKey of 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is QZXFTJYZNGRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(20)18-9-6-14(7-10-18)19-8-4-5-13(16(19)22)11-15(21)17(2)3/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide?
2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 309.41 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-acetylpiperidin-4-yl)-2-oxopiperidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 54255688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).