[1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone

C20H24N2O — CID 121479044

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2n1
InChIInChI=1S/C20H24N2O/c1-14-4-7-16-11-17(8-9-19(16)21-14)20(23)18-3-2-10-22(13-18)12-15-5-6-15/h4,7-9,11,15,18H,2-3,5-6,10,12-13H2,1H3
InChIKeyODPHDHJMEVDFIO-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.85
Rot. Bonds4

About [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone (PubChem CID 121479044) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone
PubChem CID121479044
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2n1
InChIInChI=1S/C20H24N2O/c1-14-4-7-16-11-17(8-9-19(16)21-14)20(23)18-3-2-10-22(13-18)12-15-5-6-15/h4,7-9,11,15,18H,2-3,5-6,10,12-13H2,1H3
InChIKeyODPHDHJMEVDFIO-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone (CID 121479044) is [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2n1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone?
The InChIKey is ODPHDHJMEVDFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-4-7-16-11-17(8-9-19(16)21-14)20(23)18-3-2-10-22(13-18)12-15-5-6-15/h4,7-9,11,15,18H,2-3,5-6,10,12-13H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 121479044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).