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

C25H35ClN4O2 — CID 19011651

IUPAC1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1.Cl
InChIInChI=1S/C25H34N4O2.ClH/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;1H
InChIKeyXZTXUGMHNLJGSF-UHFFFAOYSA-N
MW459.03 g/mol
LogP4.13
Rot. Bonds7

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

1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride (PubChem CID 19011651) has the molecular formula C25H35ClN4O2 and a molecular weight of 459.03 g/mol. Its IUPAC name is 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride
PubChem CID19011651
Molecular FormulaC25H35ClN4O2
Molecular Weight459.03 g/mol
Exact Mass458.24
IUPAC Name1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1.Cl
InChIInChI=1S/C25H34N4O2.ClH/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;1H
InChIKeyXZTXUGMHNLJGSF-UHFFFAOYSA-N
XLogP4.13
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.03
LogP ≤ 54.13
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;hydrochloride?
The IUPAC name of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride (CID 19011651) is 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride?
The canonical SMILES for 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride is CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3CCCCC3=O)n2)CC1.Cl.
What is the InChIKey of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride?
The InChIKey is XZTXUGMHNLJGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2.ClH/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;1H.
What are the key properties of 1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride?
1-[[6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-2-pyridinyl]methyl]piperidin-2-one;hydrochloride has a molecular weight of 459.03 g/mol, XLogP of 4.13, 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;hydrochloride is sourced from PubChem (CID 19011651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).