4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one

C16H31N3O — CID 66430100

IUPAC4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)C1CCCN1C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(2)15-7-6-10-19(15)14(12-17)11-16(20)18-8-4-3-5-9-18/h13-15H,3-12,17H2,1-2H3
InChIKeyFWWCMXGEXMTYSW-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds5

About 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one

4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 66430100) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
PubChem CID66430100
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one
SMILESCC(C)C1CCCN1C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C16H31N3O/c1-13(2)15-7-6-10-19(15)14(12-17)11-16(20)18-8-4-3-5-9-18/h13-15H,3-12,17H2,1-2H3
InChIKeyFWWCMXGEXMTYSW-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-1-pyrrolidin-1-ylbutan-1-one
CID 115559409
4-amino-3-(2,5-dimethylmorpholin-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66432542
4-amino-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 104958068
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-1-piperidin-1-ylbutan-1-one
CID 66431730
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one (CID 66430100) is 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one is CC(C)C1CCCN1C(CN)CC(=O)N1CCCCC1.
What is the InChIKey of 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is FWWCMXGEXMTYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)15-7-6-10-19(15)14(12-17)11-16(20)18-8-4-3-5-9-18/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one?
4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-piperidin-1-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 66430100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).