cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone

C20H30N2O — CID 138530566

IUPACcyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone
SMILESCC(C)c1ccc(N2CCC(N(C)C)CC2)c(C(=O)C2CC2)c1
InChIInChI=1S/C20H30N2O/c1-14(2)16-7-8-19(18(13-16)20(23)15-5-6-15)22-11-9-17(10-12-22)21(3)4/h7-8,13-15,17H,5-6,9-12H2,1-4H3
InChIKeyWLXMPRFJQMZECL-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.93
Rot. Bonds5

About cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone

cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone (PubChem CID 138530566) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone
PubChem CID138530566
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Namecyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone
SMILESCC(C)c1ccc(N2CCC(N(C)C)CC2)c(C(=O)C2CC2)c1
InChIInChI=1S/C20H30N2O/c1-14(2)16-7-8-19(18(13-16)20(23)15-5-6-15)22-11-9-17(10-12-22)21(3)4/h7-8,13-15,17H,5-6,9-12H2,1-4H3
InChIKeyWLXMPRFJQMZECL-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone?
The IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone (CID 138530566) is cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone.
What is the SMILES notation for cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone?
The canonical SMILES for cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone is CC(C)c1ccc(N2CCC(N(C)C)CC2)c(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone?
The InChIKey is WLXMPRFJQMZECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-14(2)16-7-8-19(18(13-16)20(23)15-5-6-15)22-11-9-17(10-12-22)21(3)4/h7-8,13-15,17H,5-6,9-12H2,1-4H3.
What are the key properties of cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone?
cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone has a molecular weight of 314.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-propan-2-ylphenyl]methanone is sourced from PubChem (CID 138530566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).