1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one

C15H31N3O — CID 82042946

IUPAC1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
SMILESCCCN(CCC)CCCC(=O)N1CCC(N)CC1
InChIInChI=1S/C15H31N3O/c1-3-9-17(10-4-2)11-5-6-15(19)18-12-7-14(16)8-13-18/h14H,3-13,16H2,1-2H3
InChIKeyDHRRAPJMAKMMHG-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.84
Rot. Bonds8

About 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one

1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one (PubChem CID 82042946) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
PubChem CID82042946
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
SMILESCCCN(CCC)CCCC(=O)N1CCC(N)CC1
InChIInChI=1S/C15H31N3O/c1-3-9-17(10-4-2)11-5-6-15(19)18-12-7-14(16)8-13-18/h14H,3-13,16H2,1-2H3
InChIKeyDHRRAPJMAKMMHG-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 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-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

1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214
1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
CID 82042195
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
CID 62014831
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 126804088
1-pentanoyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005874
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one (CID 82042946) is 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one is CCCN(CCC)CCCC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one?
The InChIKey is DHRRAPJMAKMMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-9-17(10-4-2)11-5-6-15(19)18-12-7-14(16)8-13-18/h14H,3-13,16H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one?
1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-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 1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one is sourced from PubChem (CID 82042946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).