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

1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylbutan-1-one
CID 44433951
N-[3-(2,2,4,6-tetramethyl-1-piperidinyl)propyl]-2-oxo-1-pyrrolidineacetamide
CID 44374688
1-Cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 44374571
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[3-(2,6-dimethylpiperidin-1-yl)propyl]acetamide
CID 44374959
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4-methylpentan-1-one
CID 44433946
N-[(3S4R)-4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL]-4-methylpentanamide
CID 91922784
1-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-one
CID 97528501
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 16769668
(4aR,7aS)-6-methyl-octahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 119031176
(2S)-2-amino-1-(3-((dimethylamino)methyl)piperidin-1-yl)-3-methylbutan-1-one
CID 66568038

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).