4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one

C15H31N3O — CID 66430497

IUPAC4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCCCCN(CC)C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C15H31N3O/c1-3-5-9-17(4-2)14(13-16)12-15(19)18-10-7-6-8-11-18/h14H,3-13,16H2,1-2H3
InChIKeyLDHDOZYYQVYEOE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds8

About 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one

4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one (PubChem CID 66430497) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one
PubChem CID66430497
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCCCCN(CC)C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C15H31N3O/c1-3-5-9-17(4-2)14(13-16)12-15(19)18-10-7-6-8-11-18/h14H,3-13,16H2,1-2H3
InChIKeyLDHDOZYYQVYEOE-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66430078
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
2-[2-aminoethyl(butyl)amino]-1-piperidin-1-ylethanone
CID 63761864
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one (CID 66430497) is 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one is CCCCN(CC)C(CN)CC(=O)N1CCCCC1.
What is the InChIKey of 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one?
The InChIKey is LDHDOZYYQVYEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-5-9-17(4-2)14(13-16)12-15(19)18-10-7-6-8-11-18/h14H,3-13,16H2,1-2H3.
What are the key properties of 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one?
4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66430497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).