1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone

C29H34N4O2 — CID 141132254

IUPAC1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(c2ccc(Oc3ccccn3)cc2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H34N4O2/c34-29(33-20-18-31(19-21-33)23-25-6-2-1-3-7-25)22-24-13-16-32(17-14-24)26-9-11-27(12-10-26)35-28-8-4-5-15-30-28/h1-12,15,24H,13-14,16-23H2
InChIKeyMNTPJUIFFULURM-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.82
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone

1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone (PubChem CID 141132254) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone
PubChem CID141132254
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(c2ccc(Oc3ccccn3)cc2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C29H34N4O2/c34-29(33-20-18-31(19-21-33)23-25-6-2-1-3-7-25)22-24-13-16-32(17-14-24)26-9-11-27(12-10-26)35-28-8-4-5-15-30-28/h1-12,15,24H,13-14,16-23H2
InChIKeyMNTPJUIFFULURM-UHFFFAOYSA-N
XLogP4.82
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone with MolForge

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Related Compounds

6-[4-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]phenoxy]-N-[4-(trifluoromethyl)phenyl]pyridine-3-sulfinamide
CID 143481861
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
N-[6-[4-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 68522071
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
1-(4-benzylpiperazin-1-yl)-3-[4-[[5-(dibenzylamino)-2-pyridinyl]oxy]phenyl]propan-1-one
CID 68524311
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10406365
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone (CID 141132254) is 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone is O=C(CC1CCN(c2ccc(Oc3ccccn3)cc2)CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone?
The InChIKey is MNTPJUIFFULURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c34-29(33-20-18-31(19-21-33)23-25-6-2-1-3-7-25)22-24-13-16-32(17-14-24)26-9-11-27(12-10-26)35-28-8-4-5-15-30-28/h1-12,15,24H,13-14,16-23H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone has a molecular weight of 470.62 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[1-(4-pyridin-2-yloxyphenyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 141132254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).