4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

C21H24N4 — CID 96574055

IUPAC4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1ccc2c(N3CCC[C@@H](c4nccn4CC4CC4)C3)ccnc2c1
InChIInChI=1S/C21H24N4/c1-2-6-19-18(5-1)20(9-10-22-19)24-12-3-4-17(15-24)21-23-11-13-25(21)14-16-7-8-16/h1-2,5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2/t17-/m1/s1
InChIKeyMSYSQNVXCJKLRE-QGZVFWFLSA-N
MW332.45 g/mol
LogP4.23
Rot. Bonds4

About 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (PubChem CID 96574055) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
PubChem CID96574055
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1ccc2c(N3CCC[C@@H](c4nccn4CC4CC4)C3)ccnc2c1
InChIInChI=1S/C21H24N4/c1-2-6-19-18(5-1)20(9-10-22-19)24-12-3-4-17(15-24)21-23-11-13-25(21)14-16-7-8-16/h1-2,5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2/t17-/m1/s1
InChIKeyMSYSQNVXCJKLRE-QGZVFWFLSA-N
XLogP4.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (CID 96574055) is 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is c1ccc2c(N3CCC[C@@H](c4nccn4CC4CC4)C3)ccnc2c1.
What is the InChIKey of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The InChIKey is MSYSQNVXCJKLRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-6-19-18(5-1)20(9-10-22-19)24-12-3-4-17(15-24)21-23-11-13-25(21)14-16-7-8-16/h1-2,5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2/t17-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline has a molecular weight of 332.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 96574055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).