1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one

C15H27N3O2 — CID 62029166

IUPAC1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
SMILESCCCN(CC(=O)N1CCC(=O)CC1)C1CCNCC1
InChIInChI=1S/C15H27N3O2/c1-2-9-18(13-3-7-16-8-4-13)12-15(20)17-10-5-14(19)6-11-17/h13,16H,2-12H2,1H3
InChIKeyGKKJAZUWNFXZEG-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.64
Rot. Bonds5

About 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one

1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one (PubChem CID 62029166) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
PubChem CID62029166
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
SMILESCCCN(CC(=O)N1CCC(=O)CC1)C1CCNCC1
InChIInChI=1S/C15H27N3O2/c1-2-9-18(13-3-7-16-8-4-13)12-15(20)17-10-5-14(19)6-11-17/h13,16H,2-12H2,1H3
InChIKeyGKKJAZUWNFXZEG-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821
1-[2-[cyclopropyl(3-methylbutyl)amino]acetyl]piperidin-4-one
CID 78974180
1-(2,3-dihydroindol-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 119932761
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521
3,3-dimethyl-1-[piperidin-4-yl(propyl)amino]butan-2-one
CID 62030880
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
1-cyclohexyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 104750584
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069

Frequently Asked Questions

What is the IUPAC name of 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one (CID 62029166) is 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one is CCCN(CC(=O)N1CCC(=O)CC1)C1CCNCC1.
What is the InChIKey of 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one?
The InChIKey is GKKJAZUWNFXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-9-18(13-3-7-16-8-4-13)12-15(20)17-10-5-14(19)6-11-17/h13,16H,2-12H2,1H3.
What are the key properties of 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one?
1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one has a molecular weight of 281.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 62029166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).