3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one

C19H34N2O2 — CID 129276778

IUPAC3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(CC(C)(C)C(=O)N2CCCC2)C1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)16(22)21-12-8-9-15(14-21)13-19(4,5)17(23)20-10-6-7-11-20/h15H,6-14H2,1-5H3
InChIKeyMIUDJZYUGGIXAB-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.31
Rot. Bonds3

About 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one

3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 129276778) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID129276778
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(CC(C)(C)C(=O)N2CCCC2)C1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)16(22)21-12-8-9-15(14-21)13-19(4,5)17(23)20-10-6-7-11-20/h15H,6-14H2,1-5H3
InChIKeyMIUDJZYUGGIXAB-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
1-[4-(2-hydroxyethyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 155951870
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2,2-dimethyl-3-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 129276743

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one (CID 129276778) is 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)(C)C(=O)N1CCCC(CC(C)(C)C(=O)N2CCCC2)C1.
What is the InChIKey of 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is MIUDJZYUGGIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-18(2,3)16(22)21-12-8-9-15(14-21)13-19(4,5)17(23)20-10-6-7-11-20/h15H,6-14H2,1-5H3.
What are the key properties of 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 322.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 129276778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).