2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C14H27N3O — CID 61264661

IUPAC2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(N)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,15)13(18)17-10-6-12(7-11-17)16-8-4-3-5-9-16/h12H,3-11,15H2,1-2H3
InChIKeyCQDGJCYQGGAKDI-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 61264661) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID61264661
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)(N)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(2,15)13(18)17-10-6-12(7-11-17)16-8-4-3-5-9-16/h12H,3-11,15H2,1-2H3
InChIKeyCQDGJCYQGGAKDI-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
2,2-dimethyl-3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanethioamide
CID 55224044
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119891927
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 103733241
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
2-amino-3,3,3-trifluoro-2-methyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 79810894
3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91082020

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 61264661) is 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is CC(C)(N)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is CQDGJCYQGGAKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,15)13(18)17-10-6-12(7-11-17)16-8-4-3-5-9-16/h12H,3-11,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 61264661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).