2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone

C14H22N4O — CID 114707092

IUPAC2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1cncc1C1CCNCC1)N1CCCC1
InChIInChI=1S/C14H22N4O/c19-14(17-7-1-2-8-17)10-18-11-16-9-13(18)12-3-5-15-6-4-12/h9,11-12,15H,1-8,10H2
InChIKeyYZJDXLPWGZOKMT-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.97
Rot. Bonds3

About 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone

2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 114707092) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID114707092
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1cncc1C1CCNCC1)N1CCCC1
InChIInChI=1S/C14H22N4O/c19-14(17-7-1-2-8-17)10-18-11-16-9-13(18)12-3-5-15-6-4-12/h9,11-12,15H,1-8,10H2
InChIKeyYZJDXLPWGZOKMT-UHFFFAOYSA-N
XLogP0.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
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-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
CID 114717394
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377569
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone (CID 114707092) is 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone is O=C(Cn1cncc1C1CCNCC1)N1CCCC1.
What is the InChIKey of 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is YZJDXLPWGZOKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(17-7-1-2-8-17)10-18-11-16-9-13(18)12-3-5-15-6-4-12/h9,11-12,15H,1-8,10H2.
What are the key properties of 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone?
2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 262.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-ylimidazol-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114707092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).