1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one

C16H26N4O — CID 114707224

IUPAC1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
SMILESO=C(CCn1cncc1C1CCNCC1)N1CCCCC1
InChIInChI=1S/C16H26N4O/c21-16(19-9-2-1-3-10-19)6-11-20-13-18-12-15(20)14-4-7-17-8-5-14/h12-14,17H,1-11H2
InChIKeyNCNXJSOMHMKYOY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds4

About 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one

1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one (PubChem CID 114707224) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
PubChem CID114707224
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
SMILESO=C(CCn1cncc1C1CCNCC1)N1CCCCC1
InChIInChI=1S/C16H26N4O/c21-16(19-9-2-1-3-10-19)6-11-20-13-18-12-15(20)14-4-7-17-8-5-14/h12-14,17H,1-11H2
InChIKeyNCNXJSOMHMKYOY-UHFFFAOYSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 114707092
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 104943658
1-piperidin-1-yl-2-(5-piperidin-2-ylimidazol-1-yl)ethanone
CID 114707098
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
1-piperidin-1-yl-3-(6-piperidin-4-yl-2-pyridinyl)propan-1-one
CID 95826603
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one (CID 114707224) is 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one is O=C(CCn1cncc1C1CCNCC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one?
The InChIKey is NCNXJSOMHMKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(19-9-2-1-3-10-19)6-11-20-13-18-12-15(20)14-4-7-17-8-5-14/h12-14,17H,1-11H2.
What are the key properties of 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one?
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 114707224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).