[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone

C21H21N3O — CID 780116

IUPAC[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21N3O/c25-21(20-6-3-9-22-15-20)24-12-10-23(11-13-24)16-17-7-8-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2
InChIKeyLTPDEDVNKSDZMF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.19
Rot. Bonds3

About [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 780116) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID780116
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21N3O/c25-21(20-6-3-9-22-15-20)24-12-10-23(11-13-24)16-17-7-8-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2
InChIKeyLTPDEDVNKSDZMF-UHFFFAOYSA-N
XLogP3.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
2-chloro-N-(2-chlorophenyl)sulfonyl-N-[3-[[4-(pyridine-3-carbonyl)piperazin-1-yl]methyl]phenyl]benzenesulfonamide
CID 175505444
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 780116) is [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LTPDEDVNKSDZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(20-6-3-9-22-15-20)24-12-10-23(11-13-24)16-17-7-8-18-4-1-2-5-19(18)14-17/h1-9,14-15H,10-13,16H2.
What are the key properties of [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 331.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 780116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).