3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H26N4O2 — CID 118766442

IUPAC3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCn1cncc1C(=O)N1CCC(CCC(=O)N2CCCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-19-13-18-12-15(19)17(23)21-10-6-14(7-11-21)4-5-16(22)20-8-2-3-9-20/h12-14H,2-11H2,1H3
InChIKeyJTPJHXURKVSYTR-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.67
Rot. Bonds4

About 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 118766442) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID118766442
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCn1cncc1C(=O)N1CCC(CCC(=O)N2CCCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-19-13-18-12-15(19)17(23)21-10-6-14(7-11-21)4-5-16(22)20-8-2-3-9-20/h12-14H,2-11H2,1H3
InChIKeyJTPJHXURKVSYTR-UHFFFAOYSA-N
XLogP1.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 118766442) is 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is Cn1cncc1C(=O)N1CCC(CCC(=O)N2CCCC2)CC1.
What is the InChIKey of 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JTPJHXURKVSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-19-13-18-12-15(19)17(23)21-10-6-14(7-11-21)4-5-16(22)20-8-2-3-9-20/h12-14H,2-11H2,1H3.
What are the key properties of 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 118766442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).