1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone

C21H32N2O — CID 173069596

IUPAC1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone
SMILESCC(C)c1cccc(C2CCNC(CC(=O)N3CCCCC3)C2)c1
InChIInChI=1S/C21H32N2O/c1-16(2)17-7-6-8-18(13-17)19-9-10-22-20(14-19)15-21(24)23-11-4-3-5-12-23/h6-8,13,16,19-20,22H,3-5,9-12,14-15H2,1-2H3
InChIKeyBOOACKRVZHCXEE-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.05
Rot. Bonds4

About 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone

1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone (PubChem CID 173069596) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone
PubChem CID173069596
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone
SMILESCC(C)c1cccc(C2CCNC(CC(=O)N3CCCCC3)C2)c1
InChIInChI=1S/C21H32N2O/c1-16(2)17-7-6-8-18(13-17)19-9-10-22-20(14-19)15-21(24)23-11-4-3-5-12-23/h6-8,13,16,19-20,22H,3-5,9-12,14-15H2,1-2H3
InChIKeyBOOACKRVZHCXEE-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone (CID 173069596) is 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone is CC(C)c1cccc(C2CCNC(CC(=O)N3CCCCC3)C2)c1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone?
The InChIKey is BOOACKRVZHCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16(2)17-7-6-8-18(13-17)19-9-10-22-20(14-19)15-21(24)23-11-4-3-5-12-23/h6-8,13,16,19-20,22H,3-5,9-12,14-15H2,1-2H3.
What are the key properties of 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone?
1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone has a molecular weight of 328.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 173069596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).