2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one

C15H29N3O — CID 63167293

IUPAC2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-4-16-15(2,3)14(19)18-11-8-13(12-18)17-9-6-5-7-10-17/h13,16H,4-12H2,1-3H3
InChIKeyAHJHFWBZUXDELI-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds4

About 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one

2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 63167293) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID63167293
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-4-16-15(2,3)14(19)18-11-8-13(12-18)17-9-6-5-7-10-17/h13,16H,4-12H2,1-3H3
InChIKeyAHJHFWBZUXDELI-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741
2-(ethylamino)-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170525
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
2-(ethylamino)-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 62941929
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
2-(ethylamino)-2-methyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 79930660
2,2-dimethyl-3-oxo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanethioamide
CID 55224044
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
2-(ethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpropan-1-one
CID 63635973
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(ethylamino)-2-methylpropan-1-one
CID 62836073

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one (CID 63167293) is 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one is CCNC(C)(C)C(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is AHJHFWBZUXDELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-16-15(2,3)14(19)18-11-8-13(12-18)17-9-6-5-7-10-17/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one?
2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 63167293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).