1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one

C25H34N4O2 — CID 10740929

IUPAC1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1
InChIInChI=1S/C25H34N4O2/c1-20(2)31-24-11-4-3-10-23(24)28-16-14-27(15-17-28)18-21-8-7-9-22(26-21)19-29-13-6-5-12-25(29)30/h3-4,7-11,20H,5-6,12-19H2,1-2H3
InChIKeyPLVXGHMFJNEQRI-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.70
Rot. Bonds7

About 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one

1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one (PubChem CID 10740929) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one
PubChem CID10740929
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1
InChIInChI=1S/C25H34N4O2/c1-20(2)31-24-11-4-3-10-23(24)28-16-14-27(15-17-28)18-21-8-7-9-22(26-21)19-29-13-6-5-12-25(29)30/h3-4,7-11,20H,5-6,12-19H2,1-2H3
InChIKeyPLVXGHMFJNEQRI-UHFFFAOYSA-N
XLogP3.70
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one (CID 10740929) is 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one is CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1.
What is the InChIKey of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one?
The InChIKey is PLVXGHMFJNEQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-20(2)31-24-11-4-3-10-23(24)28-16-14-27(15-17-28)18-21-8-7-9-22(26-21)19-29-13-6-5-12-25(29)30/h3-4,7-11,20H,5-6,12-19H2,1-2H3.
What are the key properties of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one?
1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one has a molecular weight of 422.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 10740929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).