1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one

C26H35N3O2 — CID 11742940

IUPAC1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-21(2)31-25-8-4-3-7-24(25)28-17-15-27(16-18-28)19-22-10-12-23(13-11-22)20-29-14-6-5-9-26(29)30/h3-4,7-8,10-13,21H,5-6,9,14-20H2,1-2H3
InChIKeyAQMSXOSMVXZSPU-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.31
Rot. Bonds7

About 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one

1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one (PubChem CID 11742940) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one
PubChem CID11742940
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-21(2)31-25-8-4-3-7-24(25)28-17-15-27(16-18-28)19-22-10-12-23(13-11-22)20-29-14-6-5-9-26(29)30/h3-4,7-8,10-13,21H,5-6,9,14-20H2,1-2H3
InChIKeyAQMSXOSMVXZSPU-UHFFFAOYSA-N
XLogP4.31
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one (CID 11742940) is 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCCC3=O)cc2)CC1.
What is the InChIKey of 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one?
The InChIKey is AQMSXOSMVXZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-21(2)31-25-8-4-3-7-24(25)28-17-15-27(16-18-28)19-22-10-12-23(13-11-22)20-29-14-6-5-9-26(29)30/h3-4,7-8,10-13,21H,5-6,9,14-20H2,1-2H3.
What are the key properties of 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one?
1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one has a molecular weight of 421.59 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 11742940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).