[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone

C22H24N3O2+ — CID 6967992

IUPAC[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H23N3O2/c1-27-21-7-6-17-4-2-3-5-19(17)20(21)16-24-12-14-25(15-13-24)22(26)18-8-10-23-11-9-18/h2-11H,12-16H2,1H3/p+1
InChIKeyAXRPJTYCSRXMKB-UHFFFAOYSA-O
MW362.45 g/mol
LogP1.78
Rot. Bonds4

About [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone

[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone (PubChem CID 6967992) has the molecular formula C22H24N3O2+ and a molecular weight of 362.45 g/mol. Its IUPAC name is [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
PubChem CID6967992
Molecular FormulaC22H24N3O2+
Molecular Weight362.45 g/mol
Exact Mass362.19
IUPAC Name[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H23N3O2/c1-27-21-7-6-17-4-2-3-5-19(17)20(21)16-24-12-14-25(15-13-24)22(26)18-8-10-23-11-9-18/h2-11H,12-16H2,1H3/p+1
InChIKeyAXRPJTYCSRXMKB-UHFFFAOYSA-O
XLogP1.78
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

pyridin-4-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4753894
[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 3685040
(3-bromo-4-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9226727
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone
CID 8597251
[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone
CID 4753847
[4-(4-methoxy-2,3-dimethylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803082
(5-chloro-2-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9226327
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone
CID 7324266
naphthalen-1-yl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7324221
naphthalen-1-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 7344591
[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone
CID 4741479
[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 7405247

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone (CID 6967992) is [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone is COc1ccc2ccccc2c1C[NH+]1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone?
The InChIKey is AXRPJTYCSRXMKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23N3O2/c1-27-21-7-6-17-4-2-3-5-19(17)20(21)16-24-12-14-25(15-13-24)22(26)18-8-10-23-11-9-18/h2-11H,12-16H2,1H3/p+1.
What are the key properties of [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone?
[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone has a molecular weight of 362.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 6967992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).