[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C16H26N4O — CID 72889477

IUPAC[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)20-12-7-17-15(20)14-5-10-19(11-6-14)16(21)18-8-3-4-9-18/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyKIAMMPFZLHUXKQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.86
Rot. Bonds2

About [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72889477) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID72889477
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1ccnc1C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)20-12-7-17-15(20)14-5-10-19(11-6-14)16(21)18-8-3-4-9-18/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyKIAMMPFZLHUXKQ-UHFFFAOYSA-N
XLogP2.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 72889477) is [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is CC(C)n1ccnc1C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KIAMMPFZLHUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)20-12-7-17-15(20)14-5-10-19(11-6-14)16(21)18-8-3-4-9-18/h7,12-14H,3-6,8-11H2,1-2H3.
What are the key properties of [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72889477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).