3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one

C14H24N2O2 — CID 115276606

IUPAC3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one
SMILESCN1CCC(CC(=O)N2CCC(=O)C(C)(C)C2)C1
InChIInChI=1S/C14H24N2O2/c1-14(2)10-16(7-5-12(14)17)13(18)8-11-4-6-15(3)9-11/h11H,4-10H2,1-3H3
InChIKeyKIHWVJYEGGPMCI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds2

About 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one

3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one (PubChem CID 115276606) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one
PubChem CID115276606
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one
SMILESCN1CCC(CC(=O)N2CCC(=O)C(C)(C)C2)C1
InChIInChI=1S/C14H24N2O2/c1-14(2)10-16(7-5-12(14)17)13(18)8-11-4-6-15(3)9-11/h11H,4-10H2,1-3H3
InChIKeyKIHWVJYEGGPMCI-UHFFFAOYSA-N
XLogP1.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-(1-methylpyrrolidin-3-yl)ethanone
CID 115276536
3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
CID 115276610
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 115276675
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 110837419
3,3-dimethyl-1-[4-(1H-pyrrol-3-yl)butanoyl]piperidin-4-one
CID 115276631
N-methyl-2-(1-methylpyrrolidin-3-yl)acetohydrazide
CID 116844900
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
1-(4-acetyl-4-methylpiperidin-1-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 168882694
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
2,2-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)pyrrolidin-3-one
CID 115275141
1-(3-amino-4,4-dimethylpiperidin-1-yl)-2-(1-methylpiperidin-3-yl)ethanone
CID 115276891

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one?
The IUPAC name of 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one (CID 115276606) is 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one?
The canonical SMILES for 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one is CN1CCC(CC(=O)N2CCC(=O)C(C)(C)C2)C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one?
The InChIKey is KIHWVJYEGGPMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2)10-16(7-5-12(14)17)13(18)8-11-4-6-15(3)9-11/h11H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one?
3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one has a molecular weight of 252.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 115276606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).