3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one

C14H27N3O — CID 64678059

IUPAC3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)(N)CC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-14(2,15)10-13(18)17-9-6-12(11-17)16-7-4-3-5-8-16/h12H,3-11,15H2,1-2H3
InChIKeyAWSNILRVKXPLAY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds3

About 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one

3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 64678059) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
PubChem CID64678059
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)(N)CC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-14(2,15)10-13(18)17-9-6-12(11-17)16-7-4-3-5-8-16/h12H,3-11,15H2,1-2H3
InChIKeyAWSNILRVKXPLAY-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
2,2-dimethyl-3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanethioamide
CID 55224044
2-amino-3,3,3-trifluoro-2-methyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 79810894
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 61264661

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one (CID 64678059) is 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one is CC(C)(N)CC(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is AWSNILRVKXPLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,15)10-13(18)17-9-6-12(11-17)16-7-4-3-5-8-16/h12H,3-11,15H2,1-2H3.
What are the key properties of 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one?
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 64678059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).