piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone

C27H36N2O2 — CID 10409903

IUPACpiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3
InChIKeyVYXVWGFEAFGRIW-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.48
Rot. Bonds6

About piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone

piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone (PubChem CID 10409903) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
PubChem CID10409903
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Namepiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3
InChIKeyVYXVWGFEAFGRIW-UHFFFAOYSA-N
XLogP5.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone (CID 10409903) is piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone is CC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The InChIKey is VYXVWGFEAFGRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3.
What are the key properties of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone has a molecular weight of 420.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 10409903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).