3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

C15H29N3O — CID 62837626

IUPAC3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
SMILESCCNC(C)CC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-16-13(2)11-15(19)18-10-6-7-14(12-18)17-8-4-5-9-17/h13-14,16H,3-12H2,1-2H3
InChIKeyNEPBEBXAXZHLFR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds5

About 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one (PubChem CID 62837626) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
PubChem CID62837626
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
SMILESCCNC(C)CC(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-16-13(2)11-15(19)18-10-6-7-14(12-18)17-8-4-5-9-17/h13-14,16H,3-12H2,1-2H3
InChIKeyNEPBEBXAXZHLFR-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(butan-2-ylamino)ethanone
CID 55164061
3-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butan-1-one
CID 63151719
3-(aminomethyl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 81087100
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)butanoic acid
CID 55165606
5-amino-2-methyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 104684580
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-(ethylamino)butan-1-one
CID 81103680
2-bromo-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 107904621
1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
CID 62837981
2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one (CID 62837626) is 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one is CCNC(C)CC(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
The InChIKey is NEPBEBXAXZHLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-16-13(2)11-15(19)18-10-6-7-14(12-18)17-8-4-5-9-17/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 62837626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).