1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

C27H33N5O — CID 112801401

IUPAC1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccncc2)CC1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C27H33N5O/c33-27(22-31-14-12-29(13-15-31)20-23-8-10-28-11-9-23)32-18-16-30(17-19-32)21-25-6-3-5-24-4-1-2-7-26(24)25/h1-11H,12-22H2
InChIKeyKHOHTJDKLZBUSK-UHFFFAOYSA-N
MW443.60 g/mol
LogP2.70
Rot. Bonds6

About 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 112801401) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
PubChem CID112801401
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccncc2)CC1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C27H33N5O/c33-27(22-31-14-12-29(13-15-31)20-23-8-10-28-11-9-23)32-18-16-30(17-19-32)21-25-6-3-5-24-4-1-2-7-26(24)25/h1-11H,12-22H2
InChIKeyKHOHTJDKLZBUSK-UHFFFAOYSA-N
XLogP2.70
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 18125482
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 42936124
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 34986251
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone (CID 112801401) is 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2ccncc2)CC1)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is KHOHTJDKLZBUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c33-27(22-31-14-12-29(13-15-31)20-23-8-10-28-11-9-23)32-18-16-30(17-19-32)21-25-6-3-5-24-4-1-2-7-26(24)25/h1-11H,12-22H2.
What are the key properties of 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 443.60 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 112801401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).