1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one

C17H27N3O — CID 110198108

IUPAC1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cnc(C2CC2)n1C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)10-16(21)19-8-6-15(7-9-19)20-13(3)11-18-17(20)14-4-5-14/h11-12,14-15H,4-10H2,1-3H3
InChIKeyAXGGOLJZROLRKG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.28
Rot. Bonds4

About 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one

1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 110198108) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
PubChem CID110198108
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
SMILESCc1cnc(C2CC2)n1C1CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)10-16(21)19-8-6-15(7-9-19)20-13(3)11-18-17(20)14-4-5-14/h11-12,14-15H,4-10H2,1-3H3
InChIKeyAXGGOLJZROLRKG-UHFFFAOYSA-N
XLogP3.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one (CID 110198108) is 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one is Cc1cnc(C2CC2)n1C1CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
The InChIKey is AXGGOLJZROLRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)10-16(21)19-8-6-15(7-9-19)20-13(3)11-18-17(20)14-4-5-14/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one?
1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-5-methylimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110198108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).