1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one

C16H26N4O — CID 114707115

IUPAC1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cncc1C1CCCNC1
InChIInChI=1S/C16H26N4O/c1-13(16(21)19-8-3-2-4-9-19)20-12-18-11-15(20)14-6-5-7-17-10-14/h11-14,17H,2-10H2,1H3
InChIKeyDDKQMYHGVNSWBT-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.92
Rot. Bonds3

About 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one

1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one (PubChem CID 114707115) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
PubChem CID114707115
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cncc1C1CCCNC1
InChIInChI=1S/C16H26N4O/c1-13(16(21)19-8-3-2-4-9-19)20-12-18-11-15(20)14-6-5-7-17-10-14/h11-14,17H,2-10H2,1H3
InChIKeyDDKQMYHGVNSWBT-UHFFFAOYSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
CID 114707108
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-[3-[1-(furan-2-yl)ethyl]imidazol-4-yl]piperidine
CID 114704110
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one (CID 114707115) is 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one is CC(C(=O)N1CCCCC1)n1cncc1C1CCCNC1.
What is the InChIKey of 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one?
The InChIKey is DDKQMYHGVNSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(16(21)19-8-3-2-4-9-19)20-12-18-11-15(20)14-6-5-7-17-10-14/h11-14,17H,2-10H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one?
1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 114707115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).