2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

C14H27N3O — CID 81459438

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC1CN(C(C)C(=O)N2CCCC2)CCC1N
InChIInChI=1S/C14H27N3O/c1-3-12-10-17(9-6-13(12)15)11(2)14(18)16-7-4-5-8-16/h11-13H,3-10,15H2,1-2H3
InChIKeyQYSHPCFCHOGTAH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one

2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81459438) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81459438
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC1CN(C(C)C(=O)N2CCCC2)CCC1N
InChIInChI=1S/C14H27N3O/c1-3-12-10-17(9-6-13(12)15)11(2)14(18)16-7-4-5-8-16/h11-13H,3-10,15H2,1-2H3
InChIKeyQYSHPCFCHOGTAH-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209
2-(3-aminopiperidin-1-yl)-1-piperidin-1-ylpropan-1-one
CID 61297073
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-(4-amino-3-ethylpiperidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 81460901
4-amino-3-ethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 81458117
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119903931
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 81459438) is 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is CCC1CN(C(C)C(=O)N2CCCC2)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QYSHPCFCHOGTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-12-10-17(9-6-13(12)15)11(2)14(18)16-7-4-5-8-16/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one?
2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81459438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).