2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

C24H36N2O — CID 14810983

IUPAC2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(C2CCCCC2)cc1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C24H36N2O/c27-24(26-17-5-4-10-23(26)19-25-15-6-7-16-25)18-20-11-13-22(14-12-20)21-8-2-1-3-9-21/h11-14,21,23H,1-10,15-19H2
InChIKeyQRIZARXGKJRHBY-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.75
Rot. Bonds5

About 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 14810983) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID14810983
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(C2CCCCC2)cc1)N1CCCCC1CN1CCCC1
InChIInChI=1S/C24H36N2O/c27-24(26-17-5-4-10-23(26)19-25-15-6-7-16-25)18-20-11-13-22(14-12-20)21-8-2-1-3-9-21/h11-14,21,23H,1-10,15-19H2
InChIKeyQRIZARXGKJRHBY-UHFFFAOYSA-N
XLogP4.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone (CID 14810983) is 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(C2CCCCC2)cc1)N1CCCCC1CN1CCCC1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is QRIZARXGKJRHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c27-24(26-17-5-4-10-23(26)19-25-15-6-7-16-25)18-20-11-13-22(14-12-20)21-8-2-1-3-9-21/h11-14,21,23H,1-10,15-19H2.
What are the key properties of 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone?
2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 368.57 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14810983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).