1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one

C14H29N3O — CID 82042195

IUPAC1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
SMILESCCCCN(CC)CCC(=O)N1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-3-5-9-16(4-2)10-8-14(18)17-11-6-13(15)7-12-17/h13H,3-12,15H2,1-2H3
InChIKeyGCAAIVAPVPWZQA-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds7

About 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one

1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one (PubChem CID 82042195) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
PubChem CID82042195
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one
SMILESCCCCN(CC)CCC(=O)N1CCC(N)CC1
InChIInChI=1S/C14H29N3O/c1-3-5-9-16(4-2)10-8-14(18)17-11-6-13(15)7-12-17/h13H,3-12,15H2,1-2H3
InChIKeyGCAAIVAPVPWZQA-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
1-(4-aminopiperidin-1-yl)-4-[cyclohexyl(ethyl)amino]butan-1-one
CID 92924220
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
pentyl 4-[3-[1-[3-[2-[di(nonyl)amino]ethyl-nonylamino]propanoyl]piperidin-4-yl]propyl-octylamino]butanoate
CID 139547436
1-(azepan-1-yl)-2-[butyl(ethyl)amino]ethanone
CID 86910796
1-[2-(dibutylamino)ethyl]piperidin-4-amine
CID 54459156
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one (CID 82042195) is 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one is CCCCN(CC)CCC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one?
The InChIKey is GCAAIVAPVPWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-5-9-16(4-2)10-8-14(18)17-11-6-13(15)7-12-17/h13H,3-12,15H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one?
1-(4-aminopiperidin-1-yl)-3-[butyl(ethyl)amino]propan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.45, 7 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)-3-[butyl(ethyl)amino]propan-1-one is sourced from PubChem (CID 82042195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).